SCHEMBL12844356

SCHEMBL12844356

CN1CC2CC1CC2NOCc1n[nH]c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 5/20 0.38
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ GSK3B P49841 2/20 0.34
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ PROKR1 Q8TCW9 1/20 0.31
▸ ENPP2 Q13822 1/20 0.30
▸ DGAT2 Q96PD7 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
SCHEMBL12844350 0.89 DYRK1A (0.35) GSK3B
SCHEMBL12514844 0.81 CHRNA7 (0.36) —
SCHEMBL2088600 0.81 CHRNA7 (0.42) TRPA1SCN5ASCN9AGSK3BHDAC6
SCHEMBL12843967 0.77 CHEK1 (0.36) —
SCHEMBL12844169 0.77 HAO1 (0.30) —
SCHEMBL12515272 0.76 GSK3B (0.37) GSK3B
SCHEMBL2087347 0.75 GSK3B (0.45) GSK3B
SCHEMBL2087360 0.75 GSK3B (0.45) GSK3B
SCHEMBL2088971 0.75 GSK3B (0.45) GSK3B
SCHEMBL12844346 0.71 HAO1 (0.33) GSK3B

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-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 — — US disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 — — 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-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 TRPA1 280/4885SCN5A 191/4885SCN9A 415/4885

“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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