SCHEMBL3227761

SCHEMBL3227761

C#C[CH]c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
FBP1 P09467 4/20 0.43
CYP2A6 P11509 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC2 Q92769 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
MMP3 P08254 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
SCHEMBL7867492 0.80 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EGAAFBP1
SCHEMBL3197757 0.75 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EGAAFBP1
SCHEMBL3208694 0.74 FBP1 (0.49) FBP1TSHRMAOBMAOAENPP2
SCHEMBL13799049 0.74 FBP1 (0.59) ALDH1A1LMNAKDM4EGAAFBP1
SCHEMBL21574805 0.74 FBP1 (0.59) ALDH1A1LMNAKDM4EGAAFBP1
SCHEMBL8699093 0.74 FBP1 (0.59) ALDH1A1LMNAKDM4EGAAFBP1
SCHEMBL1687898 0.74 FBP1 (0.59) ALDH1A1LMNAKDM4EGAAFBP1
SCHEMBL5253887 0.74 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EGAAFBP1
SCHEMBL1260529 0.74 FBP1 (0.59) ALDH1A1LMNAKDM4EGAAFBP1
SCHEMBL1687911 0.74 FBP1 (0.59) ALDH1A1LMNAKDM4EGAAFBP1

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 ALDH1A1 1958/4885LMNA 3402/4885KDM4E 1115/4885

“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.