SCHEMBL4568583

SCHEMBL4568583

COc1cc2c(Cc3cccc(C(=O)O)n3)c(-c3cccnc3)[nH]c2cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43
TUBB6 Q9BUF5 3/20 0.43
TUBB2B Q9BVA1 3/20 0.43
TUBB1 Q9H4B7 3/20 0.43
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL4568501 0.92 MTNR1A (0.45) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL3706720 0.91 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3713247 0.89 MTNR1A (0.44) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL4568573 0.89 ENPP2 (0.42) MTNR1AMTNR1BMRGPRX4LMNA
SCHEMBL4568556 0.88 MTNR1A (0.43) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL3698683 0.87 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11977724 0.87 MTNR1A (0.41) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL4568589 0.87 PTGS1 (0.39) MTNR1AMTNR1B
SCHEMBL3709862 0.85 KDM4E (0.52) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL3709676 0.85 KDM4E (0.43) MTNR1AMTNR1BLMNA

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 14/4885TUBB4A 3781/4885

“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.