SCHEMBL8764320

SCHEMBL8764320

COc1ccc2c(c1)cc(-c1cccnc1)n2Cc1ccc(C(=O)O)o1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
TNIK Q9UKE5 1/20 0.44

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
SCHEMBL8763260 0.89 ALDH1A1 (0.51) GRIK1GRIK2CYP19A1CYP2C9CYP11B1
SCHEMBL8762887 0.89 GRIK1 (0.59) GRIK1GRIK2
SCHEMBL6118477 0.84 NR4A1 (0.48) GRIK1GRIK2
SCHEMBL8762994 0.83 GRIK1 (0.47) GRIK1GRIK2CYP2C9
SCHEMBL6118739 0.82 TNIK (0.49) GRIK1GRIK2TNIK
SCHEMBL8762929 0.82 CCR2 (0.45) GRIK1GRIK2
SCHEMBL8763152 0.81 CCR2 (0.44) GRIK1GRIK2
SCHEMBL8762470 0.80
SCHEMBL8762189 0.79 TSHR (0.59) GRIK1GRIK2
SCHEMBL8763733 0.79 CCR2 (0.44) GRIK1GRIK2

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
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-8680120-B2 Indole derivative or pharmaceutically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
US-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US disclosed
WO-2011013624-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF キッセイ薬品工業株式会社 (JP) 2011-02-03 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-20120129890-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, ARRB1 GRIK1 344/4885GRIK2 1244/4885CYP19A1 1214/4885

“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.