SCHEMBL13161985

SCHEMBL13161985

COCCNC(=O)c1ccc(C#N)cc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.52
TRPA1 O75762 1/20 0.51
FASN P49327 2/20 0.51
CDK1 P06493 1/20 0.47
HPGD P15428 4/20 0.46
POLB P06746 1/20 0.46
EGLN2 Q96KS0 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45
LRRK2 Q5S007 1/20 0.45
RAB9A P51151 1/20 0.44
MCHR1 Q99705 1/20 0.43

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
SCHEMBL1420672 0.83 HTT (0.53) EGLN1HPGDEGLN2HTTSMN1; SMN2
SCHEMBL13162882 0.81 CNR1 (0.42) EGLN1FASNLRRK2RAB9A
SCHEMBL28840065 0.80 EGLN1 (0.48) EGLN1POLBHTTSMN1; SMN2LRRK2
SCHEMBL28839773 0.78 ALDH1A1 (0.51) EGLN1HPGDPOLBSMN1; SMN2LRRK2
SCHEMBL14280004 0.78 ALOX15 (0.50) HPGDPOLBHTTSMN1; SMN2MAPK1
SCHEMBL30641945 0.77 LRRK2 (0.51) EGLN1FASNCDK1POLBLRRK2
SCHEMBL20787533 0.77 LRRK2 (0.51) EGLN1FASNCDK1POLBLRRK2
SCHEMBL289565 0.77 LRRK2 (0.45) HPGDPOLBSMN1; SMN2LRRK2
SCHEMBL13161984 0.77 ESRRB (0.49) HPGDPOLBHTTSMN1; SMN2MAPK1
SCHEMBL1420715 0.77 HTT (0.56) HPGDHTTSMN1; SMN2MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 EGLN1 3941/4885TRPA1 59/4885FASN 4802/4885

“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.