SCHEMBL1542599

SCHEMBL1542599

COc1c(Br)cc(Br)cc1CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CSNK2A1 P68400 4/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TPMT P51580 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ APOBEC3A P31941 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ APOBEC3G Q9HC16 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3924685 0.86 HTR2A (0.40) HSD17B10CA2CA4CSNK2A1CA1
SCHEMBL11222378 0.77 HSD17B10 (0.47) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL8429787 0.77 HSD17B10 (0.52) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL17533811 0.76 HSD17B10 (0.43) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL6410058 0.76 HSD17B10 (0.50) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL27746446 0.75 MEN1 (0.38) CSNK2A1MEN1KMT2AALDH1A1NQO2
SCHEMBL301662 0.73 HSD17B10 (0.59) HSD17B10CA2CA4ALOX15ALOX12
SCHEMBL15989612 0.72 THRA (0.39) CSNK2A1MEN1KMT2ALMNAHTT
SCHEMBL16050595 0.72 CYP3A4 (0.50) CA2ALOX15ALOX12CSNK2A1CA1
SCHEMBL4171690 0.71 KDM4E (0.50) HSD17B10ALOX15CSNK2A1MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 — — US disclosed
EP-2445875-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. Hoffmann-La Roche AG (CH) 2012-05-02 — — EP disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 — — EP disclosed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 — — US disclosed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 — — US disclosed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 — — US disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 — — EP disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 — — US disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 — — US disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 — — US disclosed
WO-2010149598-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 — — WO disclosed
WO-2010149598-A2 HETEROCYCLIC ANTIVIRAL COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2010-12-29 — — WO disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 — — WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 — — US disclosed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 — — US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 — — US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 — — EP 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-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 HSD17B10 1397/4885CA2 4824/4885CA4 4735/4885
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B HSD17B10 1679/4885CA2 4842/4885CA4 4764/4885

“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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