SCHEMBL4392665

SCHEMBL4392665

COc1ccc2[nH]cc(CCNC(C)=O)c2c1Br

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.70
MTNR1B P49286 15/20 0.70
NQO2 P16083 2/20 0.70
CYP1A2 P05177 4/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2D6 P10635 3/20 0.57
HTR2B P41595 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
BLM P54132 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A1 P04798 1/20 0.57
MPO P05164 1/20 0.57
HTR1A P08908 1/20 0.57
RAB9A P51151 1/20 0.57
PMP22 Q01453 1/20 0.57
CYP1B1 Q16678 1/20 0.57

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
SCHEMBL3220584 0.86 MTNR1A (0.72) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL5440846 0.86 MTNR1A (0.72) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL3221539 0.86 MTNR1A (0.74) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL8038407 0.85 MTNR1A (0.70) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31543688 0.84 MTNR1A (0.60) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL25236273 0.82 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL17108186 0.82 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31543622 0.81 MTNR1A (0.67) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL1309348 0.81 MTNR1A (1.00) MTNR1AMTNR1BNQO2HSD17B10
SCHEMBL1309627 0.80 MTNR1A (0.64) MTNR1AMTNR1BNQO2CYP1A2CYP3A4

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.