SCHEMBL3537377

SCHEMBL3537377

COc1cccc(-c2nc(C(=O)N3CCCC4CCCC=C43)cs2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 6/20 0.42
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
SCD5 Q86SK9 1/20 0.42
PIM1 P11309 1/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
HPGD P15428 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL3537684 0.89 KDM4E (0.44) ALDH1A1MAPTLMNAKDM4ETDP1
SCHEMBL27751096 0.88 CYP2C9 (0.44) ALDH1A1PIM1USP30
SCHEMBL3540819 0.88 ACKR3 (0.41) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL3545771 0.87 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKDM4ETDP1
SCHEMBL3541008 0.87 TLR7 (0.45) ALDH1A1MAPTLMNAKDM4ETP53
SCHEMBL3534293 0.87 NTMT1 (0.39) ALDH1A1KDM4EPIM1
SCHEMBL3535648 0.86 ACKR3 (0.47) MAPTTDP1NPSR1PIM1USP30
SCHEMBL3538996 0.86 ACKR3 (0.37) ALDH1A1KDM4E
SCHEMBL3541605 0.86 ACKR3 (0.37) ALDH1A1KDM4E
SCHEMBL3538473 0.86 PIM1 (0.45) KDM4EPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GILLESPIE PAUL 2007-07-19 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 (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-20070167622-A1 [2-(3-chloro-phenyl)-thiazol-4-yl]-(octahydro-quinolin-1-yl)-methanone; azocan-1-yl-[2-(2,3-dichloro-phenyl)-thiazol-4-yl]-methanone; type II diabetes mellitus and metabolic syndrome GOT2, PC, CYP11B2 ALDH1A1 707/4885MAPT 3282/4885LMNA 1948/4885

“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.