SCHEMBL6745107

SCHEMBL6745107

COc1ccc(Br)cc1CSc1nc2ccccc2nc1NCC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 4/20 0.40
MC4R P32245 3/20 0.39
TSHR P16473 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
TACR1 P25103 1/20 0.38
PRKCQ Q04759 1/20 0.37
KMT5A Q9NQR1 1/20 0.37
PARP14 Q460N5 1/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
AURKB Q96GD4 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
Formic Acid SCHEMBL4819237 0.95 MC4R (0.39) TRIM58MC4RTSHREHMT2TACR1
SCHEMBL4555811 0.84 CHEK2 (0.45) MC4RTACR1
SCHEMBL14027625 0.82 PGK1 (0.43) MC4RKMT5AEGFR
SCHEMBL4823017 0.78 MAPT (0.46) MC4R
SCHEMBL4825375 0.78 SYK (0.40) MC4RKMT5A
SCHEMBL14027631 0.78 MC4R (0.37) MC4RTSHR
SCHEMBL6745101 0.78 TACR1 (0.36) MC4RTSHRTACR1
SCHEMBL4816428 0.78 MAPT (0.46) TSHR
SCHEMBL4819232 0.78 MC4R (0.39) MC4RTSHRTACR1
SCHEMBL14027628 0.77 MC4R (0.36) MC4RTSHR

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 5 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-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 TRIM58 4838/4885MC4R 1/4885TSHR 47/4885

“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.