Sugi Predict

Sugi Predict / Compounds / SCHEMBL1127362

SCHEMBL1127362

SCHEMBL1127362

S=C1[C]Nc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HK1 P19367 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ GALK1 P51570 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HKDC1 Q2TB90 1/20 0.50
▸ AHR P35869 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PLAU P00749 1/20 0.35
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL10398396 0.77 NPC1 (0.42) NPC1KDM4EMEN1HSP90AA1MAPT
SCHEMBL993085 0.75 AHR (0.50) NPC1KDM4EMEN1HSP90AA1MAPT
SCHEMBL29453856 0.67 KMT2A (1.00) NPC1KDM4EMEN1HSP90AA1MAPT
SCHEMBL88685 0.67 KMT2A (1.00) NPC1KDM4EMEN1HSP90AA1MAPT
SCHEMBL1681453 0.67 MAPT (0.41) NPC1KDM4EMEN1HSP90AA1MAPT
Acridan SCHEMBL29446489 0.64 MAPT (0.65) NPC1KDM4EMEN1HSP90AA1MAPT
Acridan SCHEMBL20594012 0.64 MAPT (0.65) NPC1KDM4EMEN1HSP90AA1MAPT
Acridan SCHEMBL183367 0.64 MAPT (0.65) NPC1KDM4EMEN1HSP90AA1MAPT
Acridan SCHEMBL29405807 0.64 MAPT (0.65) NPC1KDM4EMEN1HSP90AA1MAPT
SCHEMBL19678 0.64 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144747-B2 Reagents and methods for fluorinating a substrate LEHIGH UNIVERSITY 2018-12-04 — — US disclosed
US-20160176901-A1 Reagents and Methods for Fluorinating a Substrate UNITED STATES DEPARTMENT OF ENERGY 2016-06-23 — — US disclosed
WO-2015006278-A1 REAGENTS AND METHODS FOR FLUORINATING A SUBSTRATE LEHIGH UNIVERSITY (US) 2015-01-15 — — WO disclosed
US-20110212923-A1 Phosphate Derivatives of Substituted Benzoxazoles PFIZER INC. 2011-09-01 — — US disclosed
US-20110144331-A1 Cinnoline Compounds for the Treatment of Anxiety, Cognitive and Mood Disorders ASTRAZENECA AB (SE) 2011-06-16 — — US disclosed
US-20110112144-A1 METHODS OF PREPARING SUBSTITUTED HETEROCYCLES ASTRAZENECA AB (SE) 2011-05-12 — — US disclosed
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 — — US disclosed
EP-2283012-A1 METHODS OF PREPARING SUBSTITUTED HETEROCYCLES AstraZeneca AB (SE) 2011-02-16 — — EP disclosed
US-7858776-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2010-12-28 — — US disclosed
EP-1585748-A1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION AstraZeneca AB (SE) 2005-10-19 — — EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 — — WO disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 — — EP disclosed
WO-2005016929-A1 FUSED HETEROCYLCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2005-02-24 — — WO disclosed
WO-2005016909-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2005-02-24 — — WO disclosed
WO-2005003103-A2 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ASTRAZENECA AB (SE) 2005-01-13 — — WO disclosed
WO-2004081008-A1 NOVEL FUSED TRIAZOLONES AND THE USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 — — WO disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 — — WO disclosed
WO-2004056831-A1 PYRAZOLO [3,4-d] PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2004-07-08 — — WO disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 — — WO 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 (6 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-20110112144-A1 METHODS OF PREPARING SUBSTITUTED HETEROCYCLES HCCS, DPYD, TYMP NPC1 1141/4885KDM4E 1937/4885MEN1 894/4885
US-20110144331-A1 Cinnoline Compounds for the Treatment of Anxiety, Cognitive and Mood Disorders HTR7, HTR2C, CRH NPC1 2048/4885KDM4E 3855/4885MEN1 92/4885
US-20110059992-A1 New Compounds MAPT, PSEN2, PSEN1 NPC1 27/4885KDM4E 3583/4885MEN1 3163/4885
US-20110212923-A1 Phosphate Derivatives of Substituted Benzoxazoles ESR2, GPER1, ESR1 NPC1 3339/4885KDM4E 1899/4885MEN1 4462/4885
US-10144747-B2 Reagents and methods for fluorinating a substrate CYP2F1, FLI1, PFAS NPC1 1369/4885KDM4E 3846/4885MEN1 2666/4885
US-20160176901-A1 Reagents and Methods for Fluorinating a Substrate CYP2F1, FLI1, PFAS NPC1 1369/4885KDM4E 3846/4885MEN1 2666/4885

“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.