SCHEMBL4568208

SCHEMBL4568208

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccc(C)cc3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
PTGS2 P35354 1/20 0.43
GPR17 Q13304 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
MTNR1A P48039 2/20 0.41

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
SCHEMBL3702535 0.93 TUBB4A (0.48) MDM4MDM2GPR17TUBB4ATUBB
SCHEMBL4568176 0.91 MDM4 (0.41) MDM4MDM2PTGS2TUBB4ATUBB
SCHEMBL3711070 0.91 CYP19A1 (0.51) GPR17TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4568211 0.91 PTGS2 (0.44) MDM4MDM2PTGS2GPR17TUBB4A
SCHEMBL4568218 0.91 CYP19A1 (0.51) GPR17TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3704461 0.90 GPR17 (0.44) GPR17TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3711669 0.89 CYP19A1 (0.42) GPR17MTNR1AMTNR1BCYP19A1KDM4E
SCHEMBL3704285 0.89 GPR17 (0.43) PTGS2GPR17TUBB4ATUBBTUBA3C
SCHEMBL4568536 0.88 CYP19A1 (0.40) PTGS2GPR17MTNR1AMTNR1BCYP19A1
SCHEMBL3710191 0.87 PTGS2 (0.41) PTGS2GPR17TUBB4ATUBBTUBA3C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MDM4 4719/4885MDM2 2739/4885PTGS2 257/4885

“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.