SCHEMBL4568588

SCHEMBL4568588

Cc1cc2c(Cc3cccc(C(=O)O)n3)c(-c3cccnc3)[nH]c2cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ENPP2 Q13822 1/20 0.38
DHODH Q02127 4/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GPR35 Q9HC97 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
SCHEMBL4568572 0.96 KDM4E (0.41) KDM4ELMNAHTTMTNR1AMTNR1B
SCHEMBL3709676 0.93 KDM4E (0.43) KDM4ELMNAHTTMTNR1AMTNR1B
SCHEMBL4568585 0.91 PPARG (0.40) ENPP2
SCHEMBL4568505 0.90 MTNR1A (0.43) KDM4ELMNAHTTMTNR1AMTNR1B
SCHEMBL4568573 0.89 ENPP2 (0.42) KDM4ELMNAHTTMTNR1AMTNR1B
SCHEMBL3713247 0.88 MTNR1A (0.44) KDM4ELMNAHTTMTNR1AMTNR1B
SCHEMBL4568589 0.87 PTGS1 (0.39) MTNR1AMTNR1BENPP2DHODHGPR35
SCHEMBL4568494 0.87 MTNR1A (0.43) KDM4ELMNAMTNR1AMTNR1BCYP11B1
SCHEMBL4568556 0.87 MTNR1A (0.43) MTNR1AMTNR1BCYP11B1CYP11B2
SCHEMBL3714666 0.87 PPARG (0.40)

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 KDM4E 3521/4885LMNA 4472/4885HTT 2322/4885

“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.