SCHEMBL4010543

SCHEMBL4010543

O=C(CBr)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
FABP4 P15090 1/20 0.56
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
P2RY1 P47900 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.45
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43

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
SCHEMBL16053638 0.84 ACP1 (0.44) ACP1MEN1KMT2AMAPTRAB9A
SCHEMBL25336108 0.82 ALDH1A1 (0.60) ACP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL29569513 0.82 ALDH1A1 (0.60) ACP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL29748804 0.81 MEN1 (0.65) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL333559 0.81 MEN1 (0.65) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL4008576 0.81 ACP1 (0.59) ACP1L3MBTL1FABP4MEN1KMT2A
SCHEMBL3304054 0.80 S1PR2 (0.62) ACP1L3MBTL1FABP4MEN1KMT2A
SCHEMBL14670859 0.79 L3MBTL1 (0.61) ACP1L3MBTL1FABP4MEN1KMT2A
SCHEMBL11016444 0.79 ACP1 (0.58) ACP1L3MBTL1FABP4MEN1KMT2A
SCHEMBL8877167 0.79 FABP4 (0.66) ACP1L3MBTL1FABP4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-9850203-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-12-26 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-07-28 US disclosed
WO-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO disclosed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-7498441-B2 Biaryltetrahydroisoquinoline piperidines as selective MCH receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION (US) 2009-03-03 US disclosed
EP-1601664-B1 BIARYLTETRAHYDROISOQUINOLINE PIPERIDINES AS SELECTIVE MCH RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS SCHERING CORP (US) 2008-04-30 EP disclosed
EP-1709040-A2 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF SRC FAMILY PROTEIN KINASE Sirenade Pharmaceuticals AG (DE) 2006-10-11 EP disclosed
CN-1777596-A Biaryltetrahydroisoquinoline piperidines as selective mch receptor antagonists for the treatment of obesity and related disorders SCHERING CORP (US) 2006-05-24 CN disclosed
EP-1555264-A1 Five-membered heterocyclic compounds as inhibitors of SRC family protein kinase. Sireen AG (DE) 2005-07-20 EP disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
WO-2004078745-A1 BIARYLTETRAHYDROISOQUINOLINE PIPERIDINES AS SELECTIVE MCH RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS SCHERING CORPORATION (US) 2004-09-16 WO disclosed
US-20040176355-A1 Biaryltetrahydroisoquinoline piperidines as selective MCH receptor antagonists for the treatment of obesity and related disorders SCHERING CORPORATION 2004-09-09 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ACP1 3831/4885L3MBTL1 4477/4885FABP4 3541/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 ACP1 3831/4885L3MBTL1 4477/4885FABP4 3541/4885
US-20040176355-A1 Biaryltetrahydroisoquinoline piperidines as selective MCH receptor antagonists for the treatment of obesity and related disorders MCHR1, MCHR2, MC4R ACP1 2513/4885L3MBTL1 3376/4885FABP4 285/4885
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 ACP1 2932/4885L3MBTL1 2671/4885FABP4 3744/4885
US-20160214935-A1 AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINE1 ACP1 403/4885L3MBTL1 1789/4885FABP4 2921/4885

“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.