SCHEMBL2770451

SCHEMBL2770451

O=C(O)c1ccc(NC(=O)c2csc(N3CCC(Oc4ncccn4)CC3)n2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.43
SCD O00767 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP2J2 P51589 1/20 0.40
GRM4 Q14833 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
PRSS12 P56730 1/20 0.38
CHEK1 O14757 2/20 0.38
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 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
PIM1 P11309 1/20 0.37
DNM1L O00429 1/20 0.37

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
SCHEMBL13634609 0.91 GPR6 (0.41) GPR6SCDHDAC3HDAC2CHEK1
SCHEMBL13634849 0.91 GPR6 (0.41) GPR6SCDEPHX2HDAC3HDAC2
SCHEMBL13634679 0.90 IRAK4 (0.43) GPR6SCDCHEK1DNM1L
SCHEMBL13634709 0.88 GPR6 (0.46) GPR6SCDHDAC3HDAC2
SCHEMBL13162054 0.88 SCD (0.50) GPR6SCDGRM4NR1H4HDAC3
SCHEMBL13634621 0.88 GPR6 (0.39) GPR6SCDHDAC3HDAC2CHEK1
SCHEMBL2772170 0.87 CYP2C9 (0.41) GPR6SCDCYP2C9CYP2C19EPHX2
SCHEMBL2772305 0.87 SCD (0.45) GPR6SCDCYP2C9EPHX2CYP2J2
SCHEMBL13634606 0.83 IRAK4 (0.43) GPR6SCDCHEK1
SCHEMBL13634881 0.83 NPC1 (0.40) GPR6SCDCYP2C9CYP2C19HDAC3

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 5 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
CN-101835764-B Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2012-09-19 CN disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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 GPR6 775/4885SCD 4823/4885CYP2C9 3731/4885

“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.