SCHEMBL4091068

SCHEMBL4091068

COc1ccc(N2CCN(c3nc(-c4ccccc4)c(C=O)s3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
CETP P11597 1/20 0.53
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 1/20 0.51
ADORA3 P0DMS8 1/20 0.49
SIRT1 Q96EB6 1/20 0.47
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL347743 0.86 CA12 (0.55) ALDH1A1CETPKMT2ANPSR1HTT
SCHEMBL347742 0.86 CA12 (0.55) ALDH1A1CETPKMT2ANPSR1HTT
SCHEMBL4087652 0.84 CA12 (0.56) ALDH1A1CETPKMT2ANPSR1HTT
SCHEMBL4087650 0.84 CA12 (0.56) ALDH1A1CETPKMT2ANPSR1HTT
SCHEMBL347930 0.83 ALDH1A1 (0.63) ALDH1A1CETPKMT2ANPSR1HTT
SCHEMBL4093773 0.81 ALDH1A1 (0.61) ALDH1A1CETPKMT2ANPSR1HTT
SCHEMBL4085482 0.80 AR (0.65) ALDH1A1CETPKMT2ANPSR1HTT
SCHEMBL4080666 0.80 KMT2A (0.51) ALDH1A1CETPKMT2ANPSR1HTT
SCHEMBL7062983 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AHTTLMNAMAPT
SCHEMBL347552 0.79 PTGDR2 (0.62) ALDH1A1CETPKMT2ANPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists ARGENTA DISCOVERY LIMITED (GB) 2009-09-03 US disclosed
EP-1922312-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-05-21 EP disclosed
WO-2007028999-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2007-03-15 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 (1 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-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists PTGDR2, PTGDR, PTGER2 ALDH1A1 3327/4885CETP 4678/4885KMT2A 3556/4885

“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.