Sugi Predict

Sugi Predict / Compounds / SCHEMBL3377072

SCHEMBL3377072

SCHEMBL3377072

O=C(Cc1ccc(Cl)cc1)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ PIK3CA P42336 2/20 0.57
▸ SMO Q99835 1/20 0.54
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ ERCC5 P28715 1/20 0.51
▸ FEN1 P39748 1/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.45

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
SCHEMBL1515732 0.89 ERCC5 (0.59) L3MBTL1MAPTSMONPC1RAB9A
SCHEMBL8956100 0.86 LMNA (0.51) MAPTPIK3CASMONPC1RAB9A
SCHEMBL5231265 0.84 SMO (0.57) L3MBTL1MAPTSMONPC1RAB9A
SCHEMBL29351857 0.84 USP2 (0.64) L3MBTL1MAPTPIK3CANPC1RAB9A
SCHEMBL31405550 0.84 ERCC5 (0.50) L3MBTL1MAPTPIK3CASMONPC1
SCHEMBL7663868 0.84 USP2 (0.64) L3MBTL1MAPTPIK3CANPC1RAB9A
SCHEMBL8956326 0.82 L3MBTL1 (0.54) L3MBTL1MAPTPIK3CANPC1RAB9A
SCHEMBL1156806 0.82 JAK2 (0.53) MAPTSMOERCC5FEN1MEN1
SCHEMBL6200370 0.82 L3MBTL1 (0.54) L3MBTL1MAPTPIK3CANPC1RAB9A
SCHEMBL1847760 0.82 USP2 (0.70) MAPTSMONPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966173-B1 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-11-17 — — EP disclosed
US-7728141-B2 Substituted naphthyridinone derivatives MERCK SHARP & DOHME CORP. (US) 2010-06-01 — — US disclosed
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-03-11 — — US disclosed
US-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2010-02-04 — — US disclosed
EP-2139332-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 — — EP disclosed
EP-2139333-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2010-01-06 — — EP disclosed
EP-1682550-B1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO INC (US) 2009-12-23 — — EP disclosed
US-7618991-B2 Heterocyclic derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-11-17 — — US disclosed
US-20080269303-A1 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-10-30 — — US disclosed
WO-2008121257-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-10-09 — — WO disclosed
US-7091216-B2 Substituted furo[2,3-b]pyridine derivatives MERCK & CO., INC. (US) 2006-08-15 — — US disclosed
EP-1682550-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES Merck & Co., Inc. (US) 2006-07-26 — — EP disclosed
EP-1558252-A4 SUBSTITUTED FURO 2,3-B| PYRIDINE DERIVATIVES MERCK & CO INC (US) 2006-05-17 — — EP disclosed
US-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives MERCK SHARP & DOHME CORP. 2005-12-08 — — US disclosed
US-20050182103-A1 Substituted 2,3-diphenyl pyridines MERCK SHARP & DOHME CORP. 2005-08-18 — — US disclosed
EP-1558252-A2 SUBSTITUTED FURO 2,3-B] PYRIDINE DERIVATIVES Merck & Co., Inc. (US) 2005-08-03 — — EP disclosed
WO-2005047285-A1 SUBSTITUTED NAPHTHYRIDINONE DERIVATIVES MERCK & CO., INC. (US) 2005-05-26 — — WO disclosed
EP-1492784-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES Merck & Co., Inc. (US) 2005-01-05 — — EP disclosed
WO-2004012671-A2 SUBSTITUTED FURO [2,3-B] PYRIDINE DERIVATIVES MERCK & CO., INC. (US) 2004-02-12 — — WO disclosed
WO-2003082191-A2 SUBSTITUTED 2,3-DIPHENYL PYRIDINES MERCK & CO., INC. (US) 2003-10-09 — — 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 (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-20050182103-A1 Substituted 2,3-diphenyl pyridines CNR1, CNR2, MAG L3MBTL1 2942/4885MAPT 1018/4885PIK3CA 1616/4885
US-20100029697-A1 SUBSTITUTED PYRIDO[3,2-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH L3MBTL1 3580/4885MAPT 451/4885PIK3CA 1433/4885
US-20100063032-A1 SUBSTITUTED PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH L3MBTL1 3805/4885MAPT 618/4885PIK3CA 1826/4885
US-20050272763-A1 Substituted furo[2,3-b]pyridine derivatives CNR1, CNR2, FAAH L3MBTL1 2956/4885MAPT 994/4885PIK3CA 2098/4885
US-20080269303-A1 HETEROCYCLIC DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, NQO1 L3MBTL1 4453/4885MAPT 3208/4885PIK3CA 3360/4885

“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.