SCHEMBL1337709

SCHEMBL1337709

O=[N+]([O-])c1c(F)cc(OCc2ccccc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.53
CYP19A1 P11511 1/20 0.48
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
MGMT P16455 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
AR P10275 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
NSD2 O96028 1/20 0.45
ABL1 P00519 1/20 0.45
PPARG P37231 1/20 0.45
RIN1 Q13671 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
CTSV O60911 1/20 0.45

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
Bicarbonate SCHEMBL20548521 0.93 MEN1 (0.49) PTGESCYP19A1TLR4TLR2MAOA
SCHEMBL29463874 0.82 PTGES (0.61) PTGESTLR4TLR2MAOAMAOB
SCHEMBL519418 0.82 PTGES (0.61) PTGESTLR4TLR2MAOAMAOB
SCHEMBL8903443 0.81 MAPT (0.49) PTGESCYP19A1TLR4TLR2MAOA
SCHEMBL5624528 0.81 PTGES (0.47) PTGESTLR4TLR2MAOAMAOB
SCHEMBL21910020 0.81 CYP19A1 (0.51) PTGESCYP19A1MGMTMEN1KMT2A
SCHEMBL2434879 0.81 CYP19A1 (0.51) PTGESCYP19A1MGMTMEN1KMT2A
SCHEMBL24074731 0.80 MGMT (0.53) PTGESCYP19A1TLR4TLR2MAOA
SCHEMBL29503061 0.79 PTGES (0.61) PTGESTLR4TLR2MAOAMAOB
SCHEMBL2022545 0.79 PTGES (0.61) PTGESTLR4TLR2MAOAMAOB

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 US disclosed
WO-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 WO disclosed
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 EP disclosed
EP-1599467-B1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE LLC (US) 2010-05-19 EP disclosed
WO-2010054260-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
EP-1960394-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer HealthCare AG (DE) 2008-08-27 EP disclosed
WO-2007059202-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE AG (DE) 2007-05-24 WO disclosed
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 EP disclosed
EP-1599467-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP disclosed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US disclosed
WO-2004078747-A1 NOVEL CYANOPYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO disclosed
WO-2004078748-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 PTGES 3267/4885CYP19A1 1583/4885TLR4 4729/4885
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR PTGES 206/4885CYP19A1 1334/4885TLR4 487/4885
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A PTGES 938/4885CYP19A1 581/4885TLR4 3163/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR PTGES 206/4885CYP19A1 1334/4885TLR4 487/4885

“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.