SCHEMBL3213042

SCHEMBL3213042

O=C(NCc1ccccc1)c1ccc2ncccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.62
EGLN1 Q9GZT9 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA2B P29275 1/20 0.60
ADORA1 P30542 1/20 0.60
NR1H4 Q96RI1 1/20 0.59
PLAU P00749 1/20 0.57
BCAT1 P54687 1/20 0.57
CYP2D6 P10635 1/20 0.57
NSD2 O96028 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
NAMPT P43490 1/20 0.56
HPGDS O60760 1/20 0.55

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
SCHEMBL1680963 0.95 HDAC6 (0.58) PLK1EGLN1ADORA3ADORA2AADORA2B
SCHEMBL1681082 0.95 PLK1 (0.60) PLK1EGLN1ADORA3ADORA2AADORA2B
SCHEMBL12361022 0.92 MMP13 (0.59) PLK1EGLN1NR1H4BCAT1HDAC1
SCHEMBL1680423 0.92 HDAC6 (0.67) PLK1EGLN1ADORA3ADORA2AADORA2B
SCHEMBL1680905 0.90 NR1H4 (0.55) PLK1EGLN1ADORA3ADORA2AADORA2B
SCHEMBL1681275 0.90 PLK1 (0.57) PLK1EGLN1ADORA3ADORA2AADORA2B
SCHEMBL1680824 0.90 HDAC6 (0.58) PLK1EGLN1ADORA3ADORA2AADORA2B
SCHEMBL13491460 0.90 PLK1 (0.54) PLK1EGLN1ADORA3ADORA2AADORA2B
SCHEMBL1680953 0.90 PLK1 (0.54) PLK1EGLN1ADORA3ADORA2AADORA2B
SCHEMBL1680872 0.90 HDAC6 (0.65) PLK1EGLN1NR1H4PLAUBCAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969380-B2 Secondary 8-hydroxyquinoline-7-carboxamide derivatives for use as antifungal agents POLICHEM SA (LU) 2015-03-03 US disclosed
US-8969380-B2 Secondary 8-hydroxyquinoline-7-carboxamide derivatives for use as antifungal agents POLICHEM SA (LU) 2015-03-03 US disclosed
US-8729076-B2 Secondary 8-hydroxyquinoline-7-carboxamide derivatives POLICHEM SA (LU) 2014-05-20 US disclosed
US-8729076-B2 Secondary 8-hydroxyquinoline-7-carboxamide derivatives POLICHEM SA (LU) 2014-05-20 US disclosed
EP-2519504-B1 NEW SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES. POLICHEM SA (LU) 2014-03-19 EP disclosed
EP-2519503-B1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES FOR USE AS ANTIFUNGAL AGENTS POLICHEM SA (LU) 2013-10-23 EP disclosed
US-20120329797-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES FOR USE AS ANTIFUNGAL AGENTS POLICHEM SA (LU) 2012-12-27 US disclosed
US-20120329797-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES FOR USE AS ANTIFUNGAL AGENTS POLICHEM SA (LU) 2012-12-27 US disclosed
US-20120316167-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES POLICHEM SA (LU) 2012-12-13 US disclosed
US-20120316167-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES POLICHEM SA (LU) 2012-12-13 US disclosed
WO-2011080265-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES FOR USE AS ANTIFUNGAL AGENTS POLICHEM S.A. (LU) 2011-07-07 WO disclosed
WO-2011080266-A1 NEW SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES. POLICHEM S.A. (LU) 2011-07-07 WO disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX PLK1 3447/4885EGLN1 14/4885ADORA3 4306/4885
US-20120329797-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES FOR USE AS ANTIFUNGAL AGENTS ERG28, TUBA8, CYP51A1 PLK1 1005/4885EGLN1 1246/4885ADORA3 1805/4885
US-20120316167-A1 SECONDARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES TUBA8, CYP51A1, ERG28 PLK1 1521/4885EGLN1 946/4885ADORA3 1670/4885

“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.