SCHEMBL3222382

SCHEMBL3222382

C#C[CH]c1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.44
CYP19A1 P11511 6/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
TP53 P04637 1/20 0.36
HTR6 P50406 1/20 0.35
ACHE P22303 1/20 0.33
NQO2 P16083 1/20 0.33
CA3 P07451 1/20 0.33
THRB P10828 1/20 0.33
CA6 P23280 1/20 0.33
CASP1 P29466 1/20 0.33

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) MAOAMAOBMAPTMEN1KMT2A
SCHEMBL3227313 0.74 NFE2L2 (0.42) APPMAOAMAOB
SCHEMBL3227490 0.74 HSD17B10 (0.46) MAOBHSD17B10
SCHEMBL334039 0.72
SCHEMBL3230994 0.72 CYP19A1 (0.52) CYP19A1MAOAMAOBMAPTALDH1A1
SCHEMBL14877351 0.70 ALDH1A1 (0.44) MAPTALDH1A1MAPK1CYP3A4TDP1
SCHEMBL1350366 0.69
SCHEMBL3215228 0.69 CYP1A2 (0.44) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3228247 0.68
SCHEMBL7646748 0.67 CYP19A1 (0.78) APPCYP19A1MAOAMAOBMAPT

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 APP 1930/4885CYP19A1 1758/4885MAOA 662/4885

“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.