SCHEMBL2372595

SCHEMBL2372595

COC(=O)c1c(CBr)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE10A Q9Y233 2/20 0.52
TSHR P16473 1/20 0.52
TACR3 P29371 8/20 0.50
DHODH Q02127 3/20 0.50
LMNA P02545 3/20 0.50
TACR2 P21452 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL27729454 0.90 LMNA (0.53) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL2373281 0.88 KDM4E (0.55) SMN1; SMN2MEN1KMT2ATACR3DHODH
SCHEMBL4668037 0.88 TACR3 (0.53) SMN1; SMN2MEN1KMT2ATACR3DHODH
SCHEMBL4875432 0.87 KDM4E (0.49) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL14115125 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2APDE10ATSHR
SCHEMBL5945389 0.86 PDE10A (0.49) MEN1KMT2APDE10ATSHRTACR3
SCHEMBL2372559 0.85 TRPV4 (0.50) SMN1; SMN2TACR3DHODHTACR2KDM4E
SCHEMBL1581252 0.84 DHODH (0.65) KMT2APDE10ATSHRTACR3DHODH
SCHEMBL4868977 0.84 MEN1 (0.54) SMN1; SMN2MEN1KMT2ATACR3LMNA
SCHEMBL6506852 0.84 DHODH (0.56) SMN1; SMN2MEN1KMT2APDE10ATSHR

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-2549872-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2015-11-25 EP disclosed
US-8658636-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2014-02-25 US disclosed
EP-2549872-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130012499-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-10 US disclosed
US-8071621-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-8071621-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2011-12-06 US disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
US-20100029717-A1 Alkylsulphonamide Quinolines SIMPSON THOMAS 2010-02-04 US disclosed
US-20100029717-A1 Alkylsulphonamide Quinolines SIMPSON THOMAS 2010-02-04 US disclosed
EP-1334088-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2003-08-13 EP disclosed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO disclosed
WO-2002044154-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO disclosed
WO-2002044165-A1 QUINOLINE DERIVATIVES AS NK-3 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO disclosed
WO-2002038548-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-05-16 WO disclosed
WO-2002038547-A1 QUINOLINE DERIVATIVES AS NK-3 AND NK-2 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-05-16 WO disclosed
EP-1131294-A1 QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
EP-1131295-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000031038-A1 QUINOLINE DERIVATIVES AS NK-2 AND NK-3 RECEPTOR LIGANDS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 WO disclosed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 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 (2 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-20100029717-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR SMN1; SMN2 2314/4885MEN1 858/4885KMT2A 966/4885
US-20130012499-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV5 SMN1; SMN2 4452/4885MEN1 4069/4885KMT2A 3590/4885

“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.