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Sugi Predict / Compounds / SCHEMBL1361837

SCHEMBL1361837

SCHEMBL1361837

N#Cc1ccc(CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.63
▸ VCAM1 P19320 2/20 0.54
▸ KAT2B Q92831 1/20 0.45
▸ MAPT P10636 6/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PDK1 Q15118 1/20 0.40
▸ SNCA P37840 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL2798528 1.00 CYP1A2 (0.63) CYP1A2VCAM1KAT2BMAPTLMNA
SCHEMBL7270734 0.87 VCAM1 (0.53) CYP1A2VCAM1KAT2BMAPTLMNA
SCHEMBL7270740 0.87 VCAM1 (0.53) CYP1A2VCAM1KAT2BMAPTLMNA
SCHEMBL7270746 0.87 VCAM1 (0.53) CYP1A2VCAM1KAT2BMAPTLMNA
SCHEMBL6786723 0.84 VCAM1 (0.50) CYP1A2VCAM1KAT2BMAPTLMNA
SCHEMBL3526505 0.83 PDGFRB (0.52) CYP1A2VCAM1KAT2BMAPTLMNA
SCHEMBL3917442 0.83 VCAM1 (0.58) CYP1A2VCAM1KAT2BMAPTLMNA
SCHEMBL28859284 0.81 VCAM1 (0.57) VCAM1KAT2BMAPTLMNAPKM
SCHEMBL325356 0.80 VCAM1 (0.46) CYP1A2VCAM1KAT2BMAPTLMNA
SCHEMBL30995113 0.80 VCAM1 (0.46) CYP1A2VCAM1KAT2BMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229360-B1 INDOLINONE DERIVATIVES AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INT (DE) 2020-07-01 — — EP disclosed
EP-2229359-B1 PROCESS FOR THE MANUFACTURE OF AN INDOLINONE DERIVATIVE BOEHRINGER INGELHEIM INT (DE) 2017-11-29 — — EP disclosed
EP-2003132-B1 Oxadiazole derivatives as S1P1 agonists ASTELLAS PHARMA INC (JP) 2014-03-05 — — EP disclosed
US-8304541-B2 Process for the manufacture of an indolinone derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 — — US disclosed
US-8304541-B2 Process for the manufacture of an indolinone derivative BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 — — US disclosed
US-8067617-B2 Indolinone derivatives and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 — — US disclosed
US-8067617-B2 Indolinone derivatives and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 — — US disclosed
US-20110201812-A1 PROCESS FOR THE MANUFACTURE OF AN INDOLINONE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 — — US disclosed
US-20110201812-A1 PROCESS FOR THE MANUFACTURE OF AN INDOLINONE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 — — US disclosed
US-20100311985-A1 INDOLINONE DERIVATIVES AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-09 — — US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 — — US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 — — EP disclosed
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 — — US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 — — EP disclosed
US-20040146941-A1 Chemical encoding technology for combinatorial synthesis MASSACHUSETTS, UNIVERSITY OF 2004-07-29 — — US disclosed
WO-2004041752-A2 CHEMICAL ENCODING TECHNOLOGY FOR COMBINATORIAL SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2004-05-21 — — WO disclosed
EP-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 — — EP disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 — — US disclosed
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 — — EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 — — 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-20110201812-A1 PROCESS FOR THE MANUFACTURE OF AN INDOLINONE DERIVATIVE INMT, IMPA1, HTR3C CYP1A2 200/4885VCAM1 4550/4885KAT2B 3399/4885
US-20100311985-A1 INDOLINONE DERIVATIVES AND PROCESS FOR THEIR MANUFACTURE HTR3C, IDO1, IDO2 CYP1A2 21/4885VCAM1 4433/4885KAT2B 2594/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 CYP1A2 2303/4885VCAM1 471/4885KAT2B 3642/4885
US-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A CYP1A2 127/4885VCAM1 2220/4885KAT2B 1616/4885

“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.