SCHEMBL13640513

SCHEMBL13640513

[2H]C([2H])(N)c1ccc2[nH]c(C(F)(F)F)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.36
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ FFAR1 O14842 1/20 0.34
▸ METAP2 P50579 1/20 0.34
▸ CHRNA7 P36544 4/20 0.33
▸ KCNH2 Q12809 4/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ HTR6 P50406 1/20 0.31

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
SCHEMBL31020832 0.87 GAA (0.46) KDM4ELOXL2FFAR1METAP2CHRNA7
SCHEMBL1111547 0.87 GAA (0.46) KDM4ELOXL2FFAR1METAP2CHRNA7
Hydrochloric Acid SCHEMBL1111607 0.87 GAA (0.46) KDM4ELOXL2FFAR1METAP2CHRNA7
SCHEMBL19753215 0.74 CYP2A6 (0.53) KDM4ECHRNA7KCNH2CRHBPCRHR2
SCHEMBL13640532 0.72 LOX (0.31) LOXL2CHRNA7
SCHEMBL28132432 0.72 LOXL2 (0.50) KDM4ELOXL2
SCHEMBL21959783 0.70 KDM4E (0.60) KDM4ELOXL2CHRNA7KCNH2GAA
SCHEMBL745692 0.70 CYP19A1 (0.47) KDM4EMETAP2CHRNA7KCNH2CRHBP
SCHEMBL2005505 0.70 FLT3 (0.50) KDM4EGAA
SCHEMBL13640514 0.70 CACNA1H (0.41) KDM4EMETAP2CHRNA7GAA

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-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 — — 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-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR CHRNA7, CHRNA5, CHRNA1 KDM4E 1262/4885LOXL2 4276/4885FFAR1 936/4885

“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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