SCHEMBL19919274

SCHEMBL19919274

BCc1cc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.64
▸ AHR P35869 2/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ HRH4 Q9H3N8 1/20 0.49
▸ AOC3 Q16853 2/20 0.48
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ CHRNA7 P36544 1/20 0.44

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
SCHEMBL401081 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL28338445 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL7169246 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL31059889 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL29403791 0.82 LOXL2 (0.69) LOXL2AHRHRH3HRH4AOC3
SCHEMBL28335219 0.80 LOXL2 (0.67) LOXL2AHRHRH3AOC3MTNR1A
SCHEMBL108061 0.78 LOXL2 (0.64) LOXL2AHRHRH3HRH4AOC3
SCHEMBL219867 0.78 LOXL2 (0.64) LOXL2AHRHRH3HRH4AOC3
SCHEMBL3022232 0.78 LOXL2 (0.64) LOXL2AHRHRH3HRH4AOC3
SCHEMBL1854449 0.78 LOXL2 (0.64) LOXL2AHRHRH3HRH4AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10513531-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-12-24 — — US disclosed
US-20180057514-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-03-01 — — 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 (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-20180057514-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS TEC, AURKA, TYR LOXL2 2357/4885AHR 46/4885HRH3 77/4885
US-10513531-B2 Silylated derivatives of aromatic heterocycles HNRNPH3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SBK3 LOXL2 2710/4885AHR 239/4885HRH3 4/4885

“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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