SCHEMBL4825375

SCHEMBL4825375

COc1ccc(Br)cc1CSc1nc2ccccc2nc1NCCCN

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.40
KMT5A Q9NQR1 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MC4R P32245 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL4821889 0.88 KDM1A (0.45) KMT5AALDH1A1KMT2A
SCHEMBL14027619 0.87 TOP2A (0.46) KMT5ALMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL4816277 0.85 PGK1 (0.50) KMT5AKDM4EMEN1KMT2A
SCHEMBL4814121 0.84 FLT3 (0.39) KMT5AMC4RLMNAKDM4EMEN1
SCHEMBL14027628 0.84 MC4R (0.36) MC4RLMNAKDM4EMEN1ALDH1A1
SCHEMBL14027631 0.84 MC4R (0.37) MC4RLMNAKDM4EMEN1ALDH1A1
SCHEMBL14027591 0.82 KDM4E (0.47) KMT5ALMNAKDM4EMEN1KMT2A
SCHEMBL14027625 0.81 PGK1 (0.43) KMT5AMC4RCYP1A2KDM4E
SCHEMBL4908228 0.80 SLC2A1 (0.45) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL14027589 0.79 PGK1 (0.52) LMNACYP1A2KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R SYK 4091/4885KMT5A 1695/4885STK17B 1843/4885

“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.