SCHEMBL3835955

SCHEMBL3835955

Cc1cc(=O)[nH]n1-c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
ENPP3 O14638 2/20 0.38
ALPL P05186 2/20 0.38
XIAP P98170 2/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 2/20 0.38
RAB9A P51151 2/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 2/20 0.37
LMNA P02545 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL3264283 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL10373240 0.79 MAPT (0.61) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL10373537 0.76 MAPT (0.50) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL8166341 0.74 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL1114873 0.74 HSP90AA1 (0.46) ALDH1A1KMT2AGAANPC1RAB9A
SCHEMBL3262746 0.70 NPC1 (0.42) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL3262867 0.69 ALKBH5 (0.54) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL3268349 0.69 CYP2E1 (0.46) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL5440730 0.67 DDB1 (0.39) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL9191420 0.64 KDM4E (0.61) ALDH1A1MAPTKDM4ESMN1; SMN2

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-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 EP disclosed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-7582765-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-09-01 US disclosed
US-7553971-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2009-06-30 US disclosed
EP-1446379-B1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-29 EP disclosed
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-27 US disclosed
US-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-7125892-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2006-10-24 US disclosed
US-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-20060178410-A1 Preparation of N-{2-[4-(3-phenyl-4-methoxyphenyl)aminophenyl]ethyl}-2-hydroxy-2-(3-hydroxymethyl-4-hydroxyphenyl)ethylamine, for example; for the treatment of pulmonary diseases such as asthma and chronic obstructive pulmonary disease THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-10 US disclosed
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
US-6498176-B1 INHIBITING TUMOR GROWTH VIA INHIBITION OF TUMOR-RELATED ANGIOGENESIS SMITHKLINEBEECHAM CORPORATION 2002-12-24 US disclosed
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US disclosed
US-6369086-B1 Substituted oxidole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed
EP-1165514-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-01-02 EP disclosed
WO-2000056710-A1 3-(ANILINOMETHYLENE) OXINDOLES AS PROTEIN TYROSINE KINASE AND PROTEIN SERINE/THREONINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2000-09-28 WO disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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 (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-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX ALDH1A1 4171/4885MAPT 2317/4885KMT2A 1498/4885
US-20030069430-A1 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SRC, CDK2, CDK1 ALDH1A1 3290/4885MAPT 4439/4885KMT2A 2347/4885
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB3, ADRB1 ALDH1A1 614/4885MAPT 2993/4885KMT2A 2059/4885
US-20060178410-A1 Preparation of N-{2-[4-(3-phenyl-4-methoxyphenyl)aminophenyl]ethyl}-2-hydroxy-2-(3-hydroxymethyl-4-hydroxyphenyl)ethylamine, for example; for the treatment of pulmonary diseases such as asthma and chronic obstructive pulmonary disease ADRB2, ADRB3, ADRA2C ALDH1A1 1132/4885MAPT 3970/4885KMT2A 1225/4885

“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.