SCHEMBL2772170

SCHEMBL2772170

O=C(Nc1ccc(CO)cc1Cl)c1csc(N2CCC(Oc3ncccn3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP2J2 P51589 1/20 0.41
GPR6 P46095 5/20 0.41
SCD O00767 1/20 0.40
OPRK1 P41145 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
CHEK1 O14757 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL13634503 0.88 PARP1 (0.40) GPR6IRAK4
SCHEMBL2770451 0.87 GPR6 (0.43) CYP2C9CYP2C19EPHX2CYP2J2GPR6
SCHEMBL13634826 0.83 GPR6 (0.39) CYP2C9CYP2C19EPHX2CYP2J2GPR6
SCHEMBL13634716 0.82 HRH3 (0.40) GPR6SCDOPRK1KMT2AHDAC3
SCHEMBL13270414 0.81 UTS2R (0.38) CYP2C9CYP2C19EPHX2CYP2J2GPR6
SCHEMBL13634696 0.81 GPR6 (0.38) CYP2C9CYP2C19EPHX2CYP2J2GPR6
SCHEMBL2770731 0.81 OPRK1 (0.42) OPRK1KMT2AIRAK4
SCHEMBL13634885 0.80 GLS (0.41) CYP2C9CYP2C19EPHX2CYP2J2GPR6
SCHEMBL13634849 0.80 GPR6 (0.41) EPHX2GPR6SCDHDAC3HDAC2
SCHEMBL13634609 0.80 GPR6 (0.41) GPR6SCDHDAC3HDAC2CHEK1

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
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-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 CYP2C9 3731/4885CYP2C19 2767/4885EPHX2 3595/4885

“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.