SCHEMBL3085659

SCHEMBL3085659

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 11/20 0.55
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KCNH2 Q12809 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
SCHEMBL13724393 0.88 MC4R (0.44) MC4RALDH1A1MAPTMEN1KMT2A
SCHEMBL4827523 0.85 MC4R (0.53) MC4RALDH1A1MEN1KMT2AKDM4E
SCHEMBL3084384 0.84 MC4R (0.52) MC4RALDH1A1MAPTMEN1KMT2A
SCHEMBL3089926 0.83 MC4R (0.57) MC4RALDH1A1GAAMAPTKDM4E
SCHEMBL3095639 0.82 MC4R (0.56) MC4RALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL3090264 0.81 MC4R (0.52) MC4RALDH1A1GAAMAPTMEN1
SCHEMBL3095817 0.80 MC4R (0.49) MC4RALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL6222224 0.80 MC4R (0.64) MC4RALDH1A1GAAMAPT
SCHEMBL3082223 0.80 MC4R (0.64) MC4RALDH1A1GAAMAPTKCNH2
SCHEMBL14193875 0.80 MC4R (0.58) MC4RALDH1A1GAAMAPTMEN1

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 13 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
EP-1590338-B1 MODULATORS OF MELANOCORTIN RECEPTOR ORE PHARMACEUTICALS INC (US) 2009-08-26 — — EP 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
EP-1590338-A2 MODULATORS OF MELANOCORTIN RECEPTOR Gene Logic Inc. (US) 2005-11-02 — — EP disclosed
US-20040147746-A1 Modulators of melanocortin receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-07-29 — — US disclosed
WO-2004050610-A2 MODULATORS OF MELANOCORTIN RECEPTOR GENE LOGIC INC. (US) 2004-06-17 — — WO 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 MC4R 1/4885ALDH1A1 2708/4885GAA 3693/4885
US-20040147746-A1 Modulators of melanocortin receptor MC1R, MC3R, MC5R MC4R 4/4885ALDH1A1 2342/4885GAA 3742/4885

“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.

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