SCHEMBL4822552

SCHEMBL4822552

COc1ccc(Br)cc1CSc1c(Cl)cccc1CN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
TDP1 Q9NUW8 2/20 0.63
CCR5 P51681 2/20 0.48
ALDH1A1 P00352 3/20 0.46
MC4R P32245 2/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL4302766 0.97 KDM4E (0.58) KDM4ETDP1CCR5ALDH1A1MC4R
Formic Acid SCHEMBL4901439 0.91 KDM4E (0.52) KDM4ETDP1CCR5ALDH1A1MC4R
SCHEMBL4360309 0.90 KDM4E (0.49) KDM4ETDP1CCR5ALDH1A1KMT2A
SCHEMBL14027632 0.88 KDM4E (0.49) KDM4ETDP1CCR5ALDH1A1MC4R
SCHEMBL14181860 0.87 CCR5 (0.53) KDM4ETDP1CCR5ALDH1A1KMT2A
SCHEMBL14027305 0.84 CCR5 (0.52) KDM4ETDP1CCR5ALDH1A1MC4R
SCHEMBL4366403 0.84 CCR5 (0.52) KDM4ETDP1CCR5ALDH1A1MC4R
SCHEMBL4365816 0.84 CCR5 (0.44) KDM4ETDP1CCR5ALDH1A1MC4R
SCHEMBL4009569 0.84 KDM4E (0.70) KDM4ETDP1CCR5ALDH1A1KMT2A
SCHEMBL4008856 0.83 KDM4E (0.66) KDM4ETDP1CCR5ALDH1A1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
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 KDM4E 1351/4885TDP1 4856/4885CCR5 297/4885

“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.