SCHEMBL4568232

SCHEMBL4568232

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3cccc(C(F)(F)F)c3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.41
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIN1 Q13526 1/20 0.40
GPR17 Q13304 1/20 0.40
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 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
SCHEMBL4568195 0.92 MAPT (0.45) MRGPRX4DRD2HTR2AHTR2CALDH1A1
SCHEMBL3704461 0.90 GPR17 (0.44) DRD2ALDH1A1SMN1; SMN2PIN1GPR17
SCHEMBL3702535 0.89 TUBB4A (0.48) ALDH1A1SMN1; SMN2GPR17TUBB4ATUBB
SCHEMBL3712236 0.88 MAPK13 (0.52) ALDH1A1SMN1; SMN2GPR17TUBB4ATUBB
SCHEMBL4568211 0.87 PTGS2 (0.44) ALDH1A1SMN1; SMN2GPR17TUBB4ATUBB
SCHEMBL3711669 0.86 CYP19A1 (0.42) GPR17MAPK13MAPK12MAPK11MAPK14
SCHEMBL3716974 0.86 MAPK13 (0.52) MRGPRX4GPR17TUBB4ATUBBTUBA3C
SCHEMBL3704285 0.86 GPR17 (0.43) ALDH1A1GPR17TUBB4ATUBBTUBA3C
SCHEMBL4568540 0.86 GPR17 (0.41) ALDH1A1GPR17TUBB4ATUBBTUBA3C
SCHEMBL3711070 0.85 CYP19A1 (0.51) GPR17TUBB4ATUBBTUBA3CTUBA1B

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 MRGPRX4 273/4885DRD2 412/4885HTR2A 191/4885

“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.