SCHEMBL1309348

SCHEMBL1309348

COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 1.00
MTNR1B P49286 13/20 1.00
NQO2 P16083 3/20 0.55
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL26989162 0.89 MTNR1A (0.80) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL4392665 0.81 MTNR1A (0.70) MTNR1AMTNR1BNQO2HSD17B10
SCHEMBL1310030 0.80 MTNR1A (0.66) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL1308979 0.80 MTNR1A (0.66) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL1311849 0.76 MTNR1A (1.00) MTNR1AMTNR1BNQO2HSD17B10
SCHEMBL4393644 0.76 MTNR1A (1.00) MTNR1AMTNR1BNQO2HSD17B10
SCHEMBL18239761 0.75 MTNR1A (0.60) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL26989677 0.74 MTNR1A (0.58) MTNR1AMTNR1BNQO2HSD17B10
SCHEMBL1309768 0.73 MTNR1A (0.57) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL1308837 0.72 MTNR1A (0.57) MTNR1AMTNR1BNQO2TP53HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053462-B2 Indole derivative and application thereof SOMEI MASANORI 2011-11-08 US disclosed
US-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-01-01 US disclosed
US-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 US disclosed
US-5763471-A TREATS PSYCHIATARIC AND BRAIN DISORDERS CEMAF (FR) 1998-06-09 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 (2 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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient ADRB2, ADRB1, ADRA2B MTNR1A 261/4885MTNR1B 180/4885NQO2 1905/4885
US-20070197629-A1 Indole derivative and application thereof ARL1, IDO1, AIPL1 MTNR1A 143/4885MTNR1B 287/4885NQO2 2397/4885

“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.