SCHEMBL1309784

SCHEMBL1309784

COc1c(Br)cc2[nH]c(Br)c(CCNC(=O)C3CC3)c2c1Br

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.60
MTNR1B P49286 10/20 0.60
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1310030 0.85 MTNR1A (0.66) MTNR1AMTNR1BALDH1A1CYP1A2KDM4E
SCHEMBL1311781 0.80 KDM4E (0.49) MTNR1AMTNR1BALDH1A1CYP1A2KDM4E
SCHEMBL1311250 0.78 MTNR1A (0.47) MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL12114691 0.76 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL26989677 0.76 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1CYP1A2KDM4E
SCHEMBL8946906 0.75 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1CYP1A2KDM4E
SCHEMBL1311121 0.74 MTNR1A (0.38) MTNR1AMTNR1BCYP1A2
SCHEMBL2858297 0.70 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL1308837 0.68 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1CYP1A2KDM4E
SCHEMBL1309348 0.66 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10

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 287/4885ALDH1A1 2267/4885

“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.