SCHEMBL4568573

SCHEMBL4568573

Cc1cc2c(Cc3cccc(C(=O)O)n3)c(-c3cccnc3)[nH]c2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.42
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
MRGPRX4 Q96LA9 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GPR35 Q9HC97 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
DHODH Q02127 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
SCHEMBL3709676 0.93 KDM4E (0.43) ENPP2KDM4ELMNAHTTMTNR1A
SCHEMBL3703812 0.91 ENPP2 (0.43) ENPP2MRGPRX4
SCHEMBL4568499 0.90 MTNR1A (0.43) KDM4ELMNAMTNR1AMTNR1BMRGPRX4
SCHEMBL4568588 0.89 KDM4E (0.41) ENPP2KDM4ELMNAHTTMTNR1A
SCHEMBL4568589 0.89 PTGS1 (0.39) ENPP2MTNR1AMTNR1BGPR35DHODH
SCHEMBL4568583 0.89 MTNR1A (0.43) LMNAMTNR1AMTNR1BMRGPRX4
SCHEMBL3713247 0.88 MTNR1A (0.44) KDM4ELMNAHTTMTNR1AMTNR1B
SCHEMBL4568572 0.87 KDM4E (0.41) ENPP2KDM4ELMNAHTTMTNR1A
SCHEMBL3709673 0.86 KDM4E (0.39) ENPP2KDM4ELMNAHTTMTNR1A
SCHEMBL4568222 0.86 ENPP2 (0.45) ENPP2MRGPRX4

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 ENPP2 595/4885KDM4E 3521/4885LMNA 4472/4885

“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.