SCHEMBL4909179

SCHEMBL4909179

COc1ccc(Br)cc1CSc1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MC4R P32245 4/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ PRNP P04156 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL2278000 0.75 PRNP (0.43) NPSR1KDM4ERAB9AKMT2APRNP
SCHEMBL2280462 0.74 KMT2A (0.49) SMN1; SMN2L3MBTL1NPSR1ALDH1A1KDM4E
SCHEMBL1061506 0.74 RXFP1 (0.50) SMN1; SMN2L3MBTL1NPSR1ALDH1A1KDM4E
SCHEMBL4825382 0.73 MC4R (0.38) SMN1; SMN2MC4RNPSR1ALDH1A1KDM4E
SCHEMBL4823936 0.72 KDM4E (0.47) SMN1; SMN2MC4RALDH1A1KDM4EKMT2A
SCHEMBL4007811 0.71 KDM4E (0.46) SMN1; SMN2MC4RALDH1A1KDM4EKMT2A
SCHEMBL18920757 0.71 KDM4E (0.46) SMN1; SMN2MC4RALDH1A1KDM4EKMT2A
SCHEMBL27004025 0.71 L3MBTL1 (0.56) SMN1; SMN2L3MBTL1NPSR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4823620 0.70 ALDH1A1 (0.45) SMN1; SMN2MC4RALDH1A1KDM4ERAB9A
SCHEMBL4825375 0.69 SYK (0.40) SMN1; SMN2MC4RALDH1A1KDM4EKMT2A

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 1 patent. 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

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 SMN1; SMN2 3087/4885L3MBTL1 326/4885MC4R 1/4885

“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.

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