SCHEMBL4007692

SCHEMBL4007692

Ic1ccccc1CSc1ccccc1C1=NCCN1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 8/20 0.57
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
PMP22 Q01453 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
SCHEMBL4068916 0.92 NISCH (0.48) NISCHLMNAKMT2A
SCHEMBL4071617 0.82 NISCH (0.61) NISCHLMNAKDM4EALDH1A1CYP1A2
SCHEMBL5731969 0.79 KMT2A (0.67) NISCHLMNAKMT2AALDH1A1CYP1A2
SCHEMBL4362741 0.76 NISCH (0.63) NISCHLMNACYP2D6
SCHEMBL4066929 0.76 NISCH (0.51) NISCHLMNAKMT2AALDH1A1
SCHEMBL4072984 0.76 KMT2A (0.64) NISCHLMNAKMT2A
SCHEMBL4072876 0.76 NISCH (0.51) NISCHKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4063573 0.76 NISCH (0.48) NISCHLMNAKMT2A
SCHEMBL4372571 0.76 NISCH (0.54) NISCHKMT2A
SCHEMBL4370780 0.76 NISCH (0.48) NISCHKMT2A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP claimed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO claimed
EP-1204645-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP claimed
WO-2001010842-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-15 WO claimed
EP-1644337-B1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF ORE PHARMACEUTICALS INC (US) 2009-07-22 EP disclosed
WO-2009080351-A1 COMPOUNDS WITH ANTI-EMETIC EFFECT SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2009-07-02 WO disclosed
EP-2072050-A1 Compounds with anti-emetic effect Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-06-24 EP disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
EP-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 WO disclosed
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US disclosed
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 EP disclosed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 WO disclosed
EP-1204645-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-05-15 EP disclosed
WO-2001010842-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-15 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R NISCH 1934/4885LMNA 2506/4885KMT2A 1838/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R NISCH 2500/4885LMNA 2558/4885KMT2A 2114/4885

“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.