SCHEMBL4821889

SCHEMBL4821889

COc1ccc(Br)cc1CSc1nc2ccccc2nc1NCCCN(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
EHMT2 Q96KQ7 2/20 0.45
RCOR1 Q9UKL0 2/20 0.45
TOP2A P11388 2/20 0.44
FLT3 P36888 6/20 0.44
TERT O14746 2/20 0.42
POLB P06746 2/20 0.41
RAD52 P43351 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT5A Q9NQR1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
SLC2A1 P11166 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 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
SCHEMBL14027619 0.91 TOP2A (0.46) KDM1AEHMT2RCOR1TOP2AFLT3
SCHEMBL4825375 0.88 SYK (0.40) KMT5AALDH1A1KMT2A
SCHEMBL4814121 0.86 FLT3 (0.39) TOP2AFLT3POLBKMT5AKMT2A
SCHEMBL4816277 0.83 PGK1 (0.50) KDM1AEHMT2RCOR1KMT5AKMT2A
SCHEMBL14027631 0.80 MC4R (0.37) ALDH1A1KMT2A
SCHEMBL14027591 0.80 KDM4E (0.47) TOP2AKMT5AKMT2A
SCHEMBL14027625 0.79 PGK1 (0.43) KMT5A
SCHEMBL14027628 0.79 MC4R (0.36) ALDH1A1KMT2A
SCHEMBL4908228 0.79 SLC2A1 (0.45) ALDH1A1MAPK1SLC2A1KMT2A
SCHEMBL14027589 0.77 PGK1 (0.52) POLBRXFP1ALDH1A1MAPK1KMT2A

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 KDM1A 3487/4885EHMT2 3897/4885RCOR1 2019/4885

“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.