SCHEMBL1308979

SCHEMBL1308979

COc1cc(Br)c2[nH]c(Br)c(CCNC(C)=O)c2c1Br

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.66
MTNR1B P49286 13/20 0.66
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NQO2 P16083 1/20 0.42

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
SCHEMBL1309348 0.80 MTNR1A (1.00) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL1311579 0.79 MTNR1A (0.70) MTNR1AMTNR1BHSD17B10NQO2
SCHEMBL1308837 0.79 MTNR1A (0.57) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL1310030 0.79 MTNR1A (0.66) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL1309627 0.79 MTNR1A (0.64) MTNR1AMTNR1BHSD17B10NQO2
SCHEMBL2867535 0.78 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL4393644 0.75 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10NQO2
SCHEMBL26989676 0.72 MTNR1A (0.58) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL26989162 0.71 MTNR1A (0.80) MTNR1AMTNR1BTP53HSD17B10NQO2
SCHEMBL534135 0.71 SMN1; SMN2 (0.70) MTNR1AMTNR1BTP53HSD17B10

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 2 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-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 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-20070197629-A1 Indole derivative and application thereof ARL1, IDO1, AIPL1 MTNR1A 143/4885MTNR1B 287/4885TP53 3541/4885

“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.