SCHEMBL1521870

SCHEMBL1521870

CCCNc1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
SHMT2 P34897 1/20 0.44
HTT P42858 2/20 0.43
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IDO1 P14902 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
FERMT2 Q96AC1 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9363853 0.89 PKM (0.43) PKMSHMT2HTTGAARAB9A
SCHEMBL9359772 0.87 KCNH3 (0.45) PKMSHMT2HTT
SCHEMBL16224813 0.85 SOAT1 (0.45) PKM
SCHEMBL6970183 0.84 SMN1; SMN2 (0.44) PKMHTTALDH1A1MEN1POLB
SCHEMBL1116575 0.83 PKM (0.47) PKMSHMT2HTTGAARAB9A
SCHEMBL12835536 0.82 FERMT2 (0.54) PKMSHMT2HTTGAARAB9A
SCHEMBL30046801 0.82 SHMT2 (0.45) PKMSHMT2HTTGAARAB9A
SCHEMBL23797765 0.81 IDO1 (0.39) PKMHTTGAARAB9AALDH1A1
SCHEMBL18815188 0.81 IDO1 (0.39) PKMRAB9AALDH1A1MAPTIDO1
SCHEMBL18893409 0.81 KMT2A (0.41) GAAMEN1POLBKMT2AIDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118668-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-05-03 US disclosed
US-20180118668-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-05-03 US disclosed
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-04-27 US disclosed
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-04-27 US disclosed
US-7906556-B2 Methods of treating amyloidosis using cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-02-12 US disclosed
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20060074098-A1 Methods of treatment of amyloidosis using ethanolcyclicamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-04-06 US disclosed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
CN-1440392-A Phenylpyridazine derivatives and drugs containing the same KOWA CO (JP) 2003-09-03 CN disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD PKM 3076/4885SHMT2 2008/4885HTT 91/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP PKM 1999/4885SHMT2 576/4885HTT 18/4885
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ASPH, DNPEP, APP PKM 1627/4885SHMT2 228/4885HTT 142/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE PKM 3949/4885SHMT2 1125/4885HTT 233/4885
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors AMY1A, AMY2A, DNPEP PKM 3139/4885SHMT2 492/4885HTT 347/4885
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF NFATC1, CD14, CD209 PKM 4506/4885SHMT2 3135/4885HTT 3582/4885
US-20180118668-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF NFATC1, CD14, CD209 PKM 4506/4885SHMT2 3135/4885HTT 3582/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 PKM 3804/4885SHMT2 2025/4885HTT 354/4885
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors DNPEP, ASPH, APP PKM 4162/4885SHMT2 2446/4885HTT 199/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP PKM 1999/4885SHMT2 576/4885HTT 18/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP PKM 1999/4885SHMT2 576/4885HTT 18/4885
US-20060074098-A1 Methods of treatment of amyloidosis using ethanolcyclicamine aspartyl protease inhibitors DNPEP, AMY1A, AMY2A PKM 3449/4885SHMT2 1604/4885HTT 269/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.