SCHEMBL4389660

SCHEMBL4389660

COc1c(Br)cc2c(c1Br)c(CCNC(C)=O)c(Br)n2C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.42
MTNR1B P49286 15/20 0.42
NQO2 P16083 4/20 0.41
TP53 P04637 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1309743 0.85 MTNR1A (0.34) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL4385656 0.85 CA2 (0.35) HSD17B10
SCHEMBL1309245 0.82 MTNR1A (0.39) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL1310162 0.82 MTNR1A (0.39) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL1309281 0.80 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL5428544 0.80 MTNR1A (0.38) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL1310030 0.74 MTNR1A (0.66) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL1308837 0.68 MTNR1A (0.57) MTNR1AMTNR1BNQO2TP53HSD17B10
SCHEMBL9988696 0.66 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL1308979 0.65 MTNR1A (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-01-01 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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient ADRB2, ADRB1, ADRA2B MTNR1A 261/4885MTNR1B 180/4885NQO2 1905/4885

“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.