SCHEMBL12958646

SCHEMBL12958646

NCc1ccc2[nH]c(CF)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 9/20 0.50
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ F2 P00734 3/20 0.43
▸ SIRT1 Q96EB6 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA3 P07451 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ CA5B Q9Y2D0 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ HPN P05981 1/20 0.34

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
SCHEMBL12803354 0.82 LOXL2 (0.50) LOXL2GAAPKMF2SIRT1
SCHEMBL12804197 0.81 LOXL2 (0.46) LOXL2GAAPKMF2SIRT1
SCHEMBL5792170 0.78 F2 (0.61) LOXL2GAAPKMF2
SCHEMBL1313330 0.74 LOXL2 (0.46) LOXL2
SCHEMBL29673249 0.74 CYP2A6 (0.58) LOXL2GAAPKMCYP2A6
SCHEMBL6683148 0.74 CYP2A6 (0.58) LOXL2GAAPKMCYP2A6
SCHEMBL21617958 0.74 LOXL2 (0.49) LOXL2GAAPKMF2SIRT1
SCHEMBL31020823 0.74 LOXL2 (0.49) LOXL2GAAPKMF2SIRT1
SCHEMBL1111547 0.74 GAA (0.46) LOXL2GAAPKMF2CYP2A6
SCHEMBL12818674 0.74 F2 (0.54) LOXL2GAAPKMF2CYP2A6

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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — 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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 LOXL2 4182/4885GAA 1661/4885PKM 2655/4885

“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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