SCHEMBL1743253

SCHEMBL1743253

Clc1ccc(-c2cnc(Cl)nc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 3/20 0.48
LTA4H P09960 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAP4K4 O95819 2/20 0.46
CYP2D6 P10635 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43
AHR P35869 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAPT P10636 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41

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
SCHEMBL8098714 0.83 NPC1 (0.35) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28119259 0.82 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16161600 0.82 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6407267 0.80 NPSR1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL27643315 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1744212 0.80 TXN (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2757262 0.80 NPSR1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5321375 0.80 MAP4K4 (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL11476506 0.80 MEN1 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1509577 0.79 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105461699-B Substituted heterocyclic compound and its application method and purposes 广东东阳光药业有限公司 2019-07-09 CN disclosed
EP-2686312-B1 N-CYCLOPROPYL-N-PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-08-31 EP disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8822471-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
EP-2686312-A1 N- CYCLOPROPYL - N- PIPERIDINYLBENZAMIDES AS GPR119 MODULATORS Boehringer Ingelheim International GmbH (DE) 2014-01-22 EP disclosed
US-8513424-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof NEUROCRINE BIOSCIENCES, INC. (US) 2013-03-14 US disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
CN-1441801-A Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO MCNEIL PHARM INC (US) 2003-09-10 CN disclosed
CN-1441788-A Novel arylethene sulfonamides ACTELION PHARMACEUTICALS LTD (CH) 2003-09-10 CN disclosed
EP-1339699-A1 SUBSTITUTED AMIDOALKYL URACILS AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2003-09-03 EP disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
WO-2002040455-A1 SUBSTITUTED AMIDOALKYL URACILS AND THEIR USE AS INHIBITORS OF THE POLY(ADP-RIBOSE) SYNTHETASE (PARS) BAYER AKTIENGESELLSCHAFT (DE) 2002-05-23 WO disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 WO disclosed
US-4613603-A Compounds with a nitrogen-containing heterocyclic nucleus, and drugs in which they are present SANOFI (FR) 1986-09-23 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-20130065906-A1 New compounds, pharmaceutical compositions and uses thereof GPR119, GPR55, GPR65 NPC1 527/4885RAB9A 918/4885SMN1; SMN2 3394/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B NPC1 3685/4885RAB9A 1328/4885SMN1; SMN2 1867/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B NPC1 3685/4885RAB9A 1328/4885SMN1; SMN2 1867/4885

“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.