SCHEMBL3227313

SCHEMBL3227313

C#C[CH]c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.42
HSD11B1 P28845 2/20 0.38
METAP1 P53582 1/20 0.38
APP P05067 1/20 0.37
PTGS1 P23219 1/20 0.37
FBP1 P09467 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL3225817 0.76 CYP2A6 (0.44) MAOBMAOA
SCHEMBL6761014 0.74 ALDH1A1 (0.42) NFE2L2HSD11B1APPPTGS1FBP1
SCHEMBL3230155 0.74 CYP2A6 (0.46) NFE2L2PTGS1FBP1MAOB
SCHEMBL3227490 0.74 HSD17B10 (0.46) FBP1MAOB
SCHEMBL3228392 0.74 ALDH5A1 (0.46) NFE2L2HSD11B1APPPTGS1MAOB
SCHEMBL3222382 0.74 APP (0.44) APPMAOBMAOA
SCHEMBL11220322 0.73 VCP (0.46) MAOBMAOA
SCHEMBL3219279 0.73 HDAC3 (0.44) PTGS1FBP1MAOB
SCHEMBL10544388 0.73 CRHBP (0.36) NFE2L2
SCHEMBL334039 0.72

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-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 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-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 NFE2L2 2514/4885HSD11B1 4263/4885METAP1 1846/4885

“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.