Sugi Predict

Sugi Predict / Compounds / SCHEMBL331177

SCHEMBL331177

SCHEMBL331177

Cc1s[c]nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ RARG P13631 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 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
SCHEMBL1915935 0.85 TDP1 (0.42) TDP1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL1915830 0.83 RAB9A (0.42) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL17626018 0.82 ALDH1A1 (0.37) RARARARBRARGKDM4ESMN1; SMN2
SCHEMBL17625973 0.82 KDM4E (0.40) KDM4ESMN1; SMN2PTGS1PTGS2L3MBTL1
SCHEMBL17626168 0.82 ALDH1A1 (0.38) PTGS2HTTALDH1A1PKM
SCHEMBL9955117 0.80 ADORA2A (0.41) KDM4EKMT2AMEN1MAPTMAOB
SCHEMBL9954000 0.80 PTGS1 (0.48) SMN1; SMN2PTGS1PTGS2TP53ALDH1A1
SCHEMBL2397319 0.79 KIF11 (0.41) TDP1KDM4EHPGDALOX15KMT2A
SCHEMBL2398650 0.79 SMN1; SMN2 (0.50) RARARARBRARGSMN1; SMN2LMNA
SCHEMBL2396548 0.79 DHODH (0.38) KDM4EHPGDSMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271650-B1 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL MYERS SQUIBB CO (US) 2015-09-16 — — EP claimed
EP-2493894-B1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-29 — — EP claimed
EP-2493893-B1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2014-01-15 — — EP claimed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 — — EP claimed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 — — US claimed
US-8278320-B2 Azabicyclo[2.2.1]heptane compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-02 — — US claimed
EP-2493894-A1 AZABICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 — — EP claimed
EP-2493893-A1 AZABICYCLO[2.2.1]HEPTANE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Bristol-Myers Squibb Company (US) 2012-09-05 — — EP claimed
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 — — US claimed
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 — — US claimed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 — — US claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 — — EP claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 — — US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 — — EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 — — US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 — — WO claimed
EP-0476455-B1 Phenyl-substituted 2-thiazolyl tetrazolium salt indicators BAYER AG (US) 1998-11-04 — — EP claimed
EP-0376197-B1 Sulfur-containing heterocyclic compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-12 — — EP claimed
US-5290536-A Phenyl substituted 2-thiazolyl tetrazolium salt indicators MILES INC. (US) 1994-03-01 — — US claimed
US-5071841-A For prevention of bone reabsorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-10 — — US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 RARA 316/4885RARB 195/4885RARG 300/4885
US-20110269787-A1 Azabicyclic Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA6, CHRNA5 RARA 232/4885RARB 134/4885RARG 181/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA RARA 12/4885RARB 39/4885RARG 28/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 RARA 2523/4885RARB 2410/4885RARG 2936/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 RARA 2576/4885RARB 2455/4885RARG 2824/4885

“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.