SCHEMBL4568577

SCHEMBL4568577

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(C3CCCCC3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
GPR17 Q13304 1/20 0.42
MAPKAPK2 P49137 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.38
USP2 O75604 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
NSD2 O96028 1/20 0.38
NSD1 Q96L73 1/20 0.38
NSD3 Q9BZ95 1/20 0.38

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
SCHEMBL4568574 0.99 MTNR1A (0.47) MTNR1AMTNR1BGPR17MAPKAPK2MAPKAPK5
SCHEMBL4568579 0.95 GPR17 (0.44) MTNR1AMTNR1BGPR17MAPKAPK2MAPKAPK5
SCHEMBL4568450 0.92 MTNR1A (0.50) MTNR1AMTNR1BGPR17MAPKAPK2MAPKAPK5
SCHEMBL4568448 0.91 MTNR1A (0.48) MTNR1AMTNR1BGPR17ALDH1A1KDM4E
SCHEMBL4568449 0.87 MTNR1A (0.43) MTNR1AMTNR1BGPR17ALDH1A1KDM4E
SCHEMBL15975102 0.85 MTNR1A (0.44) MTNR1AMTNR1BGPR17ALDH1A1KDM4E
SCHEMBL4568213 0.81 GPR17 (0.46) GPR17KDM4EPTGS2
SCHEMBL4568558 0.81 GPR17 (0.45) MTNR1AMTNR1BGPR17KDM4EPTGS2
SCHEMBL3702535 0.81 TUBB4A (0.48) MTNR1AMTNR1BGPR17ALDH1A1KDM4E
SCHEMBL3704461 0.80 GPR17 (0.44) MTNR1AMTNR1BGPR17ALDH1A1KDM4E

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

“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.