SCHEMBL1283744

SCHEMBL1283744

COc1ccc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.56
HTT P42858 2/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TLR9 Q9NR96 1/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
APP P05067 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
SNCA P37840 1/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL11190066 0.88 ALDH1A1 (0.67) HSPB1HTTPTGS1PTGS2ALDH1A1
SCHEMBL29657332 0.87 HSPB1 (0.61) HSPB1HTTALDH1A1MEN1KMT2A
SCHEMBL29164288 0.87 SNCA (0.56) HTTPTGS1PTGS2ALDH1A1TLR9
SCHEMBL9702088 0.87 HSPB1 (0.61) HSPB1HTTALDH1A1MEN1KMT2A
SCHEMBL177626 0.87 HSPB1 (0.66) HSPB1HTTPTGS1PTGS2ALDH1A1
SCHEMBL23906962 0.86 MEN1 (0.63) HSPB1HTTPTGS1PTGS2ALDH1A1
SCHEMBL2954888 0.84 SNCA (0.54) HTTPTGS1PTGS2ALDH1A1TLR9
SCHEMBL1283188 0.84 ALDH1A1 (0.61) HSPB1HTTALDH1A1MEN1KMT2A
SCHEMBL177794 0.81 CYP19A1 (0.60) HSPB1HTTPTGS2ALDH1A1TLR9
SCHEMBL20328414 0.81 APP (0.70) HSPB1PTGS1PTGS2ALDH1A1TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 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 (5 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HSPB1 1410/4885HTT 2284/4885PTGS1 827/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HSPB1 1671/4885HTT 2129/4885PTGS1 805/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HSPB1 1214/4885HTT 2223/4885PTGS1 705/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B HSPB1 1214/4885HTT 2223/4885PTGS1 705/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B HSPB1 1214/4885HTT 2223/4885PTGS1 705/4885

“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.