SCHEMBL4568536

SCHEMBL4568536

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccc(F)c(C)c3)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.40
GPR17 Q13304 1/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
DYRK3 O43781 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ENPP2 Q13822 1/20 0.39
PTGS2 P35354 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL3711669 0.94 CYP19A1 (0.42) CYP19A1GPR17MTNR1AMTNR1BDYRK3
SCHEMBL4568424 0.92 KDM4E (0.43) CYP19A1MTNR1AMTNR1BMAPK13MAPK12
SCHEMBL4568538 0.91 TUBB4A (0.41) CYP19A1GPR17DYRK3DYRK1ADYRK2
SCHEMBL4568229 0.90 CYP19A1 (0.41) CYP19A1GPR17DYRK3DYRK1ADYRK2
SCHEMBL3704285 0.90 GPR17 (0.43) CYP19A1GPR17MTNR1AMTNR1BDYRK3
SCHEMBL3711070 0.89 CYP19A1 (0.51) CYP19A1GPR17MTNR1AMTNR1BMAPK13
SCHEMBL3712236 0.88 MAPK13 (0.52) CYP19A1GPR17MAPK13MAPK12MAPK11
SCHEMBL4568208 0.88 MDM4 (0.44) CYP19A1GPR17MTNR1AMTNR1BPTGS2
SCHEMBL3704461 0.88 GPR17 (0.44) GPR17MTNR1AMTNR1BMAPK13MAPK12
SCHEMBL4568218 0.87 CYP19A1 (0.51) CYP19A1GPR17ENPP2

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-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CYP19A1 1262/4885GPR17 59/4885MTNR1A 19/4885

“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.