SCHEMBL3226151

SCHEMBL3226151

C#C[CH]c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.42
MAPT P10636 3/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AMY1A P0DUB6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL3220977 0.83 TP53 (0.42) TDP1GABRA1GABRG2GABRB3TSHR
SCHEMBL3230298 0.75 ALDH1A1 (0.52) TDP1TSHRMAPK1MAPTGRIN2D
SCHEMBL7536038 0.75 TDP1 (0.60) TDP1GABRA1GABRG2GABRB3TSHR
SCHEMBL2097650 0.74 TDP1 (0.65) TDP1GABRA1GABRG2GABRB3TSHR
SCHEMBL8580636 0.72 TDP1 (0.62) TDP1GABRA1GABRG2GABRB3TSHR
SCHEMBL7573441 0.71 GABRA1 (0.51) TDP1GABRA1GABRG2GABRB3TSHR
SCHEMBL7831326 0.70 TDP1 (0.60) TDP1GABRA1GABRG2GABRB3TSHR
SCHEMBL7503380 0.70 TDP1 (0.60) TDP1GABRA1GABRG2GABRB3TSHR
SCHEMBL7413769 0.70 TDP1 (0.60) TDP1GABRA1GABRG2GABRB3TSHR
SCHEMBL11454521 0.70 TDP1 (0.60) TDP1GABRA1GABRG2GABRB3TP53

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 2 patents. 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
US-5171354-A Herbicides CIBA-GEIGY CORPORATION (US) 1992-12-15 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 TDP1 1863/4885GABRA1 2452/4885GABRG2 2944/4885

“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.