SCHEMBL1572850

SCHEMBL1572850

CC1(C)Cc2ccc(Br)cc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
PDE4B Q07343 1/20 0.43
TDP2 O95551 2/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TGM2 P21980 1/20 0.42
CES1 P23141 1/20 0.42
S100A4 P26447 1/20 0.41
CMA1 P23946 1/20 0.41
AHR P35869 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.40
METAP1 P53582 1/20 0.40

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
SCHEMBL30676574 1.00 TDP1 (0.46) TDP1L3MBTL1CA1CA2CA4
SCHEMBL1500161 0.85 TDP2 (0.46) TDP1L3MBTL1CA1CA2CA4
SCHEMBL447986 0.82 TDP1 (0.51) TDP1L3MBTL1CA1CA2CA4
SCHEMBL446303 0.80 TDP1 (0.41) TDP1L3MBTL1CA1CA2CA4
SCHEMBL2351057 0.79 METAP1 (0.49) CA1CA2CA4CA7CA9
SCHEMBL24292160 0.78 ALDH1A1 (0.38) L3MBTL1CA2PDE4BTDP2ALDH1A1
SCHEMBL2390689 0.78 ACHE (0.46) CA1CA2CA7CA9TDP2
SCHEMBL9948162 0.78 TDP1 (0.46) TDP1L3MBTL1CA1CA2CA4
SCHEMBL2352750 0.78 F7 (0.42) TDP2PARP1PARP10TGM2CES1
SCHEMBL9140465 0.78 CA9 (0.40) TDP1CA9TDP2PARP1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 EP disclosed
CN-113383002-B Mononuclear iridium complex containing three orthometalated bidentate ligands and having optically directional anisotropy UDC爱尔兰有限公司 2024-08-20 CN disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
WO-2024109919-A1 PYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2024-05-30 WO disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
US-20220098477-A1 MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY UDC IRELAND LIMITED (IE) 2022-03-31 US disclosed
EP-3906246-A1 MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY Merck Patent GmbH (DE) 2021-11-10 EP disclosed
WO-2020165064-A1 MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY MERCK PATENT GMBH (DE) 2020-08-20 WO disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
US-20070197594-A1 Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-08-23 US disclosed
CN-101023055-A Cyclic amine derivative or salt thereof ASTELLAS PHARMA INC (JP) 2007-08-22 CN disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP disclosed
EP-1795524-A1 CYCLIC AMINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-06-13 EP disclosed
EP-0647621-A1 Aryl and heterocylic cyanoguanidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1995-04-12 EP disclosed
US-5401758-A Pyridinyl cyanoguanidine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-28 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 TDP1 1477/4885L3MBTL1 3540/4885CA1 3338/4885
US-20070197594-A1 Cyclic amine derivative or salt thereof GRIN1, PARK7, GRIN3A TDP1 603/4885L3MBTL1 2143/4885CA1 166/4885
US-20220098477-A1 MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY ICOSLG, CCL11, CCR3 TDP1 2653/4885L3MBTL1 1868/4885CA1 3614/4885

“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.