SCHEMBL241795

SCHEMBL241795

O=CNc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
KMT2A Q03164 2/20 0.46
RELA Q04206 2/20 0.46
ALDH1A1 P00352 3/20 0.44
SOS1 Q07889 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL18844096 0.81 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL13704093 0.81 KDM5A (0.41) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL6783917 0.81 RAPGEF4 (0.46) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL2324287 0.81 KMT2A (0.46) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL90481 0.81 NPC1 (0.53) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL19444177 0.81 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL19791118 0.81 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL19632330 0.81 NPC1 (0.53) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL7125183 0.81 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL2658362 0.81 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase BARVIAN NICOLE CHANTEL (US) 2004-03-18 US claimed
EP-1294687-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2003-03-26 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001096298-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-3466946-B1 THIOPHENE, MANUFACTURING METHOD THEREOF, AND PHARMACEUTICAL APPLICATION OF SAME DONGBAO PURPLE STAR HANGZHOU BIOPHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-8735425-B2 Tetrahydroisoquinoline derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-27 US disclosed
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1294687-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001096298-A2 1,2,4-TRISUBSTITUTED BENZENES AS INHIBITORS OF 15-LIPOXYGENASE WARNER-LAMBERT COMPANY (US) 2001-12-20 WO disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US 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 (3 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-20040053983-A1 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase ALOX15, ALOX5, ALOX15B RAB9A 3743/4885NPC1 3031/4885SMN1; SMN2 4429/4885
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 RAB9A 1308/4885NPC1 176/4885SMN1; SMN2 841/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA RAB9A 2872/4885NPC1 3790/4885SMN1; SMN2 3686/4885

“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.