SCHEMBL2395918

SCHEMBL2395918

COC(=O)c1cc([N+](=O)[O-])cc(C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
GPR35 Q9HC97 2/20 0.56
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
MEN1 O00255 3/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
AKR1B1 P15121 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.41
GALR3 O60755 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ERN1 O75460 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
SCHEMBL5970532 0.90 MEN1 (0.50) ALDH1A1GPR35PDGFRBFGFR1PDGFRA
SCHEMBL3835248 0.85 MEN1 (0.51) ALDH1A1GPR35MEN1HTTKMT2A
SCHEMBL525661 0.85 PDGFRB (0.47) ALDH1A1GPR35PDGFRBFGFR1PDGFRA
SCHEMBL30098373 0.84 GPR35 (0.56) ALDH1A1GPR35PDGFRBFGFR1PDGFRA
SCHEMBL591200 0.84 GPR35 (0.56) ALDH1A1GPR35PDGFRBFGFR1PDGFRA
SCHEMBL24723054 0.83 PDGFRB (0.45) ALDH1A1GPR35PDGFRBFGFR1PDGFRA
SCHEMBL4196549 0.83 ALDH1A1 (0.45) ALDH1A1GPR35PDGFRBFGFR1PDGFRA
SCHEMBL22081952 0.83 RORC (0.46) ALDH1A1GPR35PDGFRBFGFR1PDGFRA
SCHEMBL4195883 0.83 ALDH1A1 (0.46) ALDH1A1GPR35PDGFRBFGFR1PDGFRA
SCHEMBL5924264 0.83 GPR35 (0.54) ALDH1A1GPR35MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1944290-B1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2013-12-04 EP disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
CN-102311385-A Novel 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD 2012-01-11 CN disclosed
CN-102304124-A Novel 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD 2012-01-04 CN disclosed
CN-102229562-A Novel 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO LTD 2011-11-02 CN disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
US-4159384-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-06-26 US disclosed
US-4123455-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-10-31 US disclosed
US-4060637-A 5-BROMO-N-(N,N'-DIALKYLAMINOALKYL)-O-CRESOTAMIDES PIERRE FABRE SA (FR) 1977-11-29 US disclosed
US-3958002-A ADMINISTERING PIERRE FABRE S.A. (FR) 1976-05-18 US disclosed
US-3941878-A ASPIRIN, A CRESOTAMIDE PIERRE FABRE S.A. (FR) 1976-03-02 US disclosed
US-3940490-A N-ALKYL-5-BROMO-ORTHO-CRESOTAMIDES, ANTICONVULSANT PIERRE FABRE S.A. (FR) 1976-02-24 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-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 ALDH1A1 1918/4885GPR35 2535/4885PDGFRB 232/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 ALDH1A1 1987/4885GPR35 2475/4885PDGFRB 232/4885
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease NR3C1, NR3C2, NR5A1 ALDH1A1 3037/4885GPR35 622/4885PDGFRB 3391/4885

“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.