SCHEMBL145381

SCHEMBL145381

Cc1cc(NC(=O)CBr)no1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
EGFR P00533 2/20 0.70
GAA P10253 2/20 0.70
MAPT P10636 3/20 0.66
GAPDH P04406 2/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
POLB P06746 2/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ATM Q13315 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
APEX1 P27695 1/20 0.56
PTPN7 P35236 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
BCL2L1 Q07817 1/20 0.56

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
SCHEMBL4858124 0.86 ALDH1A1 (0.66) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL4110225 0.84 ALDH1A1 (0.72) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL2639258 0.82 ALDH1A1 (0.70) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL2639256 0.82 ALDH1A1 (0.70) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL4866373 0.82 ALDH1A1 (1.00) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL4112089 0.81 ALDH1A1 (0.68) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL19116495 0.79 ALDH1A1 (0.66) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL14387700 0.79 MAPT (1.00) ALDH1A1EGFRGAAMAPTPOLB
SCHEMBL22475193 0.79 POLB (0.67) ALDH1A1EGFRGAAMAPTGAPDH
SCHEMBL1302998 0.79 ALDH1A1 (0.66) ALDH1A1EGFRGAAMAPTGAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107252429-B Novel anti-inflammatory agent 雷斯韦洛吉克斯公司 2023-06-16 CN disclosed
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
EP-2421533-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2018-10-17 EP disclosed
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2017-11-23 US disclosed
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2017-11-16 US disclosed
US-9757368-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2017-09-12 US disclosed
WO-2013186612-A1 THE USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BET (BROMODOMAIN AND EXTRA TERMINAL DOMAIN) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-12-19 WO disclosed
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
CN-101535306-A Quinuclidine derivatives of (hetero) arylcycloheptylcarboxylic acids as muscarinic receptor antagonists ASTRAZENECA AB (SE) 2009-09-16 CN disclosed
US-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1811999-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2007-08-01 EP disclosed
WO-2006048225-A1 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2006-05-11 WO disclosed
US-6991902-B2 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2006-01-31 US disclosed
US-6893815-B1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-20030003505-A1 Nucleobase heterocyclic combinatorialization ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. 2002-01-24 US disclosed
WO-1999000669-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION ISIS PHARMACEUTICALS, INC. (US) 1999-01-07 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 (7 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-20090048281-A1 (R)-3-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2] octane, useful for treating inflammatory or obstructive airways diseases CHRM3, CHRM2, CHRM1 ALDH1A1 1417/4885EGFR 1339/4885GAA 4818/4885
US-20020009748-A1 NUCLEOBASE HETEROCYCLIC COMBINATORIALIZATION PNP, ATIC, DPYD ALDH1A1 1826/4885EGFR 4624/4885GAA 2990/4885
US-20030003505-A1 Nucleobase heterocyclic combinatorialization PNP, ATIC, DPYD ALDH1A1 1826/4885EGFR 4624/4885GAA 2990/4885
US-20130281398-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 ALDH1A1 3920/4885EGFR 2474/4885GAA 1418/4885
US-20170326143-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 1042/4885EGFR 3621/4885GAA 3054/4885
US-20170333419-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 1042/4885EGFR 3621/4885GAA 3054/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 ALDH1A1 1042/4885EGFR 3621/4885GAA 3054/4885

“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.