SCHEMBL2385010

SCHEMBL2385010

COC(=O)c1ccc(C)[n+]([O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CA7 P43166 2/20 0.47
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
XDH P47989 1/20 0.43
FBP1 P09467 1/20 0.42
STS P08842 1/20 0.42
VCAM1 P19320 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
HSD17B10 Q99714 1/20 0.41
POLB P06746 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
SCHEMBL9529134 0.82 CA1 (0.53) TDP1CA1CA2CA12CA9
SCHEMBL29550577 0.81 CA1 (0.47) TDP1CA1CA2CA12CA9
SCHEMBL1615851 0.81 CA1 (0.47) TDP1CA1CA2CA12CA9
SCHEMBL30884944 0.80 CA1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL16217150 0.80 CA1 (0.47) TDP1CA1CA2CA12CA9
SCHEMBL3163274 0.80 CXCR2 (0.53) TDP1CA1CA2CA12CA9
SCHEMBL6229624 0.80 CA1 (0.42) TDP1CA1CA2CA12CA9
SCHEMBL9915908 0.79 TDP1 (0.53) TDP1CA1CA2CA12CA9
SCHEMBL30884943 0.79 ALDH1A1 (0.44) TDP1CA1CA2CA12CA9
SCHEMBL8875737 0.79 MAPK1 (0.47) TDP1CA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
US-20180118766-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-03 US disclosed
EP-3240543-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
WO-2016109216-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948458-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 US disclosed
US-6677288-B2 ORGANIC SUBSTANCE, ESPECIALLY A N-(3-AMINO-PROPYL)-6-(((DI-PYRIDIN-2-YL-METHYL)-PYRIDIN-2-YLMETHYL-AMINO) -METHYL) LIGAND THAT FORMS A COMPLEX WITH A TRANSITION METAL; COMPLEX IS BOUND TO A RECOGNIZING PORTION UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2004-01-13 US disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
EP-1285055-B1 TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS UNILEVER PLC (GB) 2003-11-05 EP disclosed
WO-2003070732-A1 FUSED BICYCLIC-N-BRIDGED-HETEROAROMATIC CARBOXAMIDES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
WO-2003068230-A1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORPORATION (US) 2003-08-21 WO disclosed
CN-1432059-A Targeted moieties for use in blech catalysts UNILEVER PLC (NL) 2003-07-23 CN disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
EP-1285055-A1 TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS UNILEVER PLC (GB) 2003-02-26 EP disclosed
US-20020049146-A1 Targeted moieties for use in bleach catalysts UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-04-25 US disclosed
WO-2001092455-A1 TARGETED MOIETIES FOR USE IN BLEACH CATALYSTS UNILEVER PLC (GB) 2001-12-06 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 (4 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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY TDP1 2111/4885CA1 871/4885CA2 1044/4885
US-20180118766-A1 BTK INHIBITORS BTK, SYK, LYN TDP1 611/4885CA1 4843/4885CA2 3100/4885
US-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN TDP1 548/4885CA1 4747/4885CA2 2058/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN TDP1 548/4885CA1 4747/4885CA2 2058/4885

“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.