SCHEMBL19475777

SCHEMBL19475777

COC(=O)c1ccc2c(Br)n(C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.46
▸ NOTUM Q6P988 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HPGD P15428 5/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ JMJD6 Q6NYC1 1/20 0.42
▸ HTT P42858 2/20 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
SCHEMBL29961609 0.88 NOTUM (0.46) KDM4ENOTUMALDH1A1HSD17B10TSHR
SCHEMBL23535750 0.84 CHRM4 (0.47) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL31633138 0.81 KDM4E (0.42) KDM4ENOTUMALDH1A1HSD17B10TSHR
SCHEMBL31633187 0.78 PTGER4 (0.45) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL22789994 0.77 L3MBTL1 (0.44) TSHRMAPTHTTKMT2ARAB9A
SCHEMBL7426182 0.77 ALDH1A1 (0.43) KDM4ENOTUMALDH1A1HSD17B10TSHR
SCHEMBL29950049 0.77 ALDH1A1 (0.43) KDM4ENOTUMALDH1A1HSD17B10TSHR
SCHEMBL11195889 0.74 CA1 (0.53) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL30987624 0.73 MAPT (0.44) KDM4ENOTUMALDH1A1HSD17B10TSHR
SCHEMBL20604896 0.73 MAPT (0.44) KDM4ENOTUMALDH1A1HSD17B10TSHR

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-10550080-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-04 — — US disclosed
US-20190119209-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 — — US disclosed
WO-2017184658-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — WO disclosed
WO-2017184658-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-26 — — WO 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 (2 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-10550080-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A KDM4E 1622/4885NOTUM 2164/4885ALDH1A1 1181/4885
US-20190119209-A1 ACYL SULFONAMIDE NaV1.7 INHIBITORS SCN7A, SCN1A, SCN8A KDM4E 1622/4885NOTUM 2164/4885ALDH1A1 1181/4885

“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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