SCHEMBL12373477

SCHEMBL12373477

Cc1nc(-c2cc(C#N)c3c(c2)c(C)cn3CC(C)C)sc1C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.80
TARBP2 Q15633 2/20 0.54
ABCC4 O15439 1/20 0.54
ABCB11 O95342 1/20 0.54
PGR P06401 1/20 0.54
CHRM1 P11229 1/20 0.54
PDE4A P27815 1/20 0.54
BLVRB P30043 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PPID Q08752 1/20 0.39

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
SCHEMBL12373472 0.89 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL12373475 0.88 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL12373479 0.85 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL1986815 0.85 XDH (0.77) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL3703625 0.81 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL3709865 0.79 XDH (0.63) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL3705198 0.76 XDH (0.64) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL3711105 0.76 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL1988257 0.75 XDH (0.71) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL1983504 0.74 XDH (0.65) XDHTARBP2ABCC4ABCB11PGR

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
US-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
US-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-2338887-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2011-06-29 EP disclosed
WO-2010044404-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES キッセイ薬品工業株式会社 (JP) 2010-04-22 WO 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-20110201815-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, PON1, CBR1 XDH 1/4885TARBP2 4138/4885ABCC4 398/4885

“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.