SCHEMBL2136387

SCHEMBL2136387

Cc1sc([C@@H]2C[C@@H](F)CN2)cc1C(=O)Nc1ncc(F)s1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.42
MAOA P21397 4/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CCR2 P41597 1/20 0.36
MAOB P27338 2/20 0.35
GCK P35557 1/20 0.34
FFAR2 O15552 9/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2136186 0.82 AHR (0.45) AHRMAOANPC1RAB9ACCR2
SCHEMBL2707760 0.76 KDM4E (0.33) MAOAALDH1A1
SCHEMBL2141146 0.74 AHR (0.41) AHRMAOANPC1RAB9ACCR2
SCHEMBL2137626 0.73 AHR (0.41) AHRMAOANPC1RAB9ACCR2
Hydrochloric Acid SCHEMBL2139139 0.70 AHR (0.38) AHRMAOAMAOBGCK
SCHEMBL2136080 0.70 ALOX15 (0.41) MAOANPC1RAB9ACCR2MAOB
SCHEMBL2706668 0.70 AHR (0.38) AHRMAOAMAOBGCK
Hydrochloric Acid SCHEMBL2139157 0.70 AHR (0.38) AHRMAOAMAOBGCKFFAR2
SCHEMBL2138644 0.69 AHR (0.42) AHRMAOANPC1RAB9ACCR2
SCHEMBL2138670 0.69 AHR (0.37) AHRMAOACCR2MAOBGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2012-04-26 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-20120101137-A1 NOVEL THIOPHENECARBOXAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF GCK, GCKR, HK2 AHR 3039/4885MAOA 1773/4885NPC1 2744/4885

“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.