SCHEMBL3537882

SCHEMBL3537882

O=C(c1csc(-c2ccc(F)cc2F)n1)N1CCCC2CCCC=C21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
LDHA P00338 1/20 0.35
ACKR3 P25106 4/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
TACR3 P29371 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL3544618 0.86 CCNT1 (0.40) ALDH1A1PDE2A
SCHEMBL3543039 0.83 HTR2C (0.34) PIM1KMT2APIM3PIM2GHSR
SCHEMBL3537435 0.82 PRKD3 (0.44) MEN1KMT2ALMNASMN1; SMN2HTR2C
SCHEMBL3535269 0.82 UCHL1 (0.39) KMT2AALDH1A1HTR2CRAB9A
SCHEMBL3542578 0.81 PIM1 (0.34) PIM1MEN1KMT2APIM3PIM2
SCHEMBL3541313 0.81 PROKR1 (0.38) HTR2C
SCHEMBL3535648 0.81 ACKR3 (0.47) PIM1PIM3PIM2TDP1ACKR3
SCHEMBL3542155 0.81 PIM1 (0.42) PIM1ALDH1A1TACR3HTR2C
SCHEMBL3544504 0.81 PIM1 (0.32) PIM1MEN1KMT2APIM3PIM2
SCHEMBL3543877 0.80 HTR2C (0.40) PDE2AHTR2C

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 PIM1 1286/4885MEN1 702/4885KMT2A 1489/4885

“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.