SCHEMBL3087246

SCHEMBL3087246

COc1ccc(Br)cc1CCc1sccc1C(=O)NC(=N)NCc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ GAA P10253 2/20 0.51
▸ MC4R P32245 1/20 0.48
▸ CYP1A2 P05177 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ROCK2 O75116 1/20 0.40

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
SCHEMBL3087248 0.83 MC4R (0.56) ALDH1A1GAAMC4RL3MBTL1USP2
SCHEMBL3089579 0.83 MC4R (0.56) ALDH1A1GAAMC4RCYP1A2CYP3A4
SCHEMBL3089926 0.81 MC4R (0.57) ALDH1A1GAAMC4RTSHRL3MBTL1
SCHEMBL3095639 0.81 MC4R (0.56) ALDH1A1GAAMC4RHPGDMAPT
SCHEMBL3082223 0.78 MC4R (0.64) ALDH1A1GAAMC4RCYP1A2TSHR
SCHEMBL3085659 0.77 MC4R (0.55) ALDH1A1GAAMC4RKMT2AKDM4E
SCHEMBL3084384 0.77 MC4R (0.52) ALDH1A1MC4RKMT2AMAPT
SCHEMBL3095817 0.77 MC4R (0.49) ALDH1A1MC4RKMT2AKDM4E
SCHEMBL3095881 0.76 MC4R (0.59) ALDH1A1GAAMC4RMAPT
SCHEMBL3089406 0.76 MC4R (0.49) MC4RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
US-7790719-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS, INC. (US) 2010-09-07 — — US disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-7365070-B2 Modulators of melanocortin receptor ORE PHARMACEUTICALS INC. (US) 2008-04-29 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
US-20070293498-A1 Modulators of melanocortin receptor GENE LOGIC, INC. (US) 2007-12-20 — — US disclosed
US-20040147746-A1 Modulators of melanocortin receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-07-29 — — 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-20070293498-A1 Modulators of melanocortin receptor MC4R, MC1R, MC5R ALDH1A1 2708/4885GAA 3693/4885MC4R 1/4885
US-20040147746-A1 Modulators of melanocortin receptor MC1R, MC3R, MC5R ALDH1A1 2342/4885GAA 3742/4885MC4R 4/4885

“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.

Send feedback