SCHEMBL3230994

SCHEMBL3230994

C#C[CH]c1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 1/20 0.52
CYP3A4 P08684 2/20 0.46
CASP1 P29466 1/20 0.46
RECQL P46063 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
KDM1A O60341 3/20 0.39
ALDH1A1 P00352 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL28370323 0.79 CYP19A1 (0.59) CYP19A1MAOAMAOBCYP3A4CASP1
SCHEMBL5950459 0.75
SCHEMBL3218827 0.74 CHRM5 (0.52) MAOAMAOBMAPTALDH1A1TSHR
SCHEMBL27961242 0.74 TP53 (0.30) TDP1
SCHEMBL3226191 0.74 LCK (0.52) MAOAMAOBCYP3A4MAPTGFER
SCHEMBL3220925 0.74 TP53 (0.54) MAOAMAOBNPC1MAPTALDH1A1
SCHEMBL3222406 0.74 ALDH1A1 (0.54) MAOAMAOBMAPTNPSR1ALDH1A1
SCHEMBL10932208 0.74 CA12 (0.41) NPC1CA12CA1CA2CA9
SCHEMBL3221530 0.74 NFE2L2 (0.58) MAOAMAOBCYP3A4NPC1MAPK1
SCHEMBL2774532 0.74 CYP19A1 (0.86) CYP19A1MAOAMAOBCYP3A4CASP1

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 CYP19A1 1758/4885MAOA 662/4885MAOB 589/4885

“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.