SCHEMBL3340524

SCHEMBL3340524

COc1ccc2[nH]c(-c3ccco3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
RAB9A P51151 7/20 0.58
POLB P06746 5/20 0.58
KDM4E B2RXH2 4/20 0.58
HPGD P15428 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 3/20 0.58
HTT P42858 2/20 0.58
THRB P10828 1/20 0.58
ALOX12 P18054 1/20 0.58
PTPN7 P35236 1/20 0.58
RECQL P46063 1/20 0.58
BLM P54132 1/20 0.58
MCL1 Q07820 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALOX5 P09917 1/20 0.53
EPHX2 P34913 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.48
CHEK1 O14757 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
SCHEMBL11903475 0.83 P2RY6 (0.56) ALDH1A1RAB9APOLBKDM4EKMT2A
SCHEMBL1170729 0.82 ALDH1A1 (0.57) ALDH1A1RAB9APOLBKDM4EHPGD
SCHEMBL4239794 0.78 ALOX5 (0.78) ALDH1A1RAB9APOLBKDM4EHPGD
SCHEMBL179157 0.78 NPC1 (0.63) ALDH1A1RAB9APOLBKDM4EHPGD
SCHEMBL8108604 0.78 NPC1 (0.69) ALDH1A1RAB9APOLBKDM4EHPGD
SCHEMBL4496832 0.78 NPC1 (0.57) ALDH1A1RAB9APOLBKDM4EHPGD
SCHEMBL18890607 0.78 AMY1A (0.46) ALDH1A1RAB9APOLBKDM4EHPGD
Hydrochloric Acid SCHEMBL2247414 0.77 ALOX5 (0.76) ALDH1A1RAB9APOLBKDM4EHPGD
SCHEMBL4813791 0.77 NPC1 (0.58) ALDH1A1RAB9APOLBKDM4EHPGD
SCHEMBL2324292 0.77 NPC1 (0.78) ALDH1A1RAB9APOLBKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 EP disclosed
EP-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 EP disclosed
US-10562890-B2 Cancer therapeutics UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-02-18 US disclosed
US-10562890-B2 Cancer therapeutics UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-02-18 US disclosed
US-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 US disclosed
US-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 US disclosed
WO-2016025744-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-02-18 WO disclosed
US-8198307-B2 Imidazole derivatives having aryl piperidine substituent, method for preparation thereof and pharmaceutical compositions containing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-06-12 US disclosed
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 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-20170233375-A1 CANCER THERAPEUTICS RUNX1, CBFB, MCL1 ALDH1A1 1660/4885RAB9A 3902/4885POLB 3273/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 ALDH1A1 1660/4885RAB9A 3902/4885POLB 3273/4885
US-20100145054-A1 IMIDAZOLE DERIVATIVES HAVING ARYL PIPERIDINE SUBSTITUENT, METHOD FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME TYR, MCHR1, MCHR2 ALDH1A1 448/4885RAB9A 687/4885POLB 4446/4885

“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.