SCHEMBL3221664

SCHEMBL3221664

C#C[CH]c1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TSHR P16473 4/20 0.39
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
TDP1 Q9NUW8 4/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 4/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 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
SCHEMBL3230298 0.73 ALDH1A1 (0.52) ALOX15TSHRALDH1A1L3MBTL1MEN1
SCHEMBL59162 0.72
SCHEMBL3220923 0.71 HSD11B1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3225515 0.71 NFE2L2 (0.54) LMNA
SCHEMBL3219076 0.71 TSHR (0.50) CYP3A4SMN1; SMN2TSHRALDH1A1L3MBTL1
SCHEMBL3211630 0.71 TRIM24 (0.50) CYP3A4ALOX15SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL27784421 0.71 PNMT (0.45) SMN1; SMN2KDM4E
SCHEMBL3765477 0.71 CYP3A4 (0.53) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL65321 0.71 CYP3A4 (0.53) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL2494469 0.71 CYP3A4 (0.53) CYP3A4ALOX15SMN1; SMN2CASP1CASP7

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 CYP3A4 918/4885ALOX15 3043/4885SMN1; SMN2 2630/4885

“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.