SCHEMBL4568558

SCHEMBL4568558

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
PTGER1 P34995 1/20 0.41
PTGS2 P35354 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.38
DYRK1A Q13627 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ENPP2 Q13822 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4568553 0.91 GPR17 (0.43) GPR17PTGER1PTGS2MRGPRX4DYRK1A
SCHEMBL4568442 0.91 MTNR1A (0.45) GPR17MTNR1AMTNR1BPTGS2MRGPRX4
SCHEMBL4568567 0.90 GPR17 (0.43) GPR17PTGER1PTGS2MRGPRX4DYRK1A
SCHEMBL4568557 0.86 GPR17 (0.43) GPR17MTNR1AMTNR1BPTGER1PTGS2
SCHEMBL4568213 0.84 GPR17 (0.46) GPR17PTGER1PTGS2MRGPRX4DYRK1A
SCHEMBL4568598 0.84 MRGPRX4 (0.42) MTNR1AMTNR1BPTGER1MRGPRX4ENPP2
SCHEMBL3702535 0.84 TUBB4A (0.48) GPR17MTNR1AMTNR1BKDM4EGAA
SCHEMBL3711072 0.83 PTGER1 (0.41) PTGER1
SCHEMBL3717010 0.83 PTGER1 (0.46) PTGER1MRGPRX4ENPP2
SCHEMBL3704461 0.83 GPR17 (0.44) GPR17MTNR1AMTNR1BKDM4E

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 GPR17 59/4885MTNR1A 19/4885MTNR1B 14/4885

“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.