SCHEMBL14027596

SCHEMBL14027596

COc1ccc(Br)cc1CSc1ccccc1CN1CCN(C2CCCCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.54
KDM4E B2RXH2 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.45
SIGMAR1 Q99720 1/20 0.44
CCR5 P51681 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL14027221 1.00 TRPV6 (0.54) TRPV6KDM4ETDP1KMT2AALDH1A1
Formic Acid SCHEMBL4823864 0.95 TRPV6 (0.49) TRPV6KDM4ETDP1KMT2AALDH1A1
SCHEMBL6746817 0.92 KDM4E (0.57) TRPV6KDM4ETDP1KMT2AALDH1A1
SCHEMBL4009569 0.88 KDM4E (0.70) KDM4ETDP1KMT2AALDH1A1CCR5
SCHEMBL4360885 0.84 KDM4E (0.55) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL4010830 0.81 KDM4E (0.54) KDM4ETDP1KMT2AALDH1A1CCR5
SCHEMBL4357877 0.81 KDM4E (0.54) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL14027324 0.80 CCR5 (0.51) KDM4ETDP1KMT2AALDH1A1CCR5
SCHEMBL4816458 0.80 KDM4E (0.58) KDM4ETDP1KMT2AALDH1A1MEN1
SCHEMBL4367612 0.80 KDM4E (0.47) TRPV6KDM4ETDP1KMT2AALDH1A1

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 4 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

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 TRPV6 604/4885KDM4E 1351/4885TDP1 4856/4885

“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.