SCHEMBL3220977

SCHEMBL3220977

C#C[CH]c1cc(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.42
TSHR P16473 7/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 3/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ERN1 O75460 1/20 0.36
HPGD P15428 1/20 0.36
PTP4A3 O75365 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
PYCR1 P32322 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
SCHEMBL3226151 0.83 TDP1 (0.54) TP53TSHRTDP1CYP3A4MAPK1
SCHEMBL3230298 0.75 ALDH1A1 (0.52) TSHRTDP1MAPK1ALDH1A1HSD17B10
SCHEMBL16957762 0.71 TP53 (0.44) TP53TSHRTDP1CYP3A4MAPK1
SCHEMBL16955144 0.71 TP53 (0.44) TP53TSHRTDP1CYP3A4MAPK1
SCHEMBL29556567 0.70 ALDH1A1 (0.52) TP53TSHRTDP1CYP3A4MAPK1
SCHEMBL1547285 0.70 TP53 (0.48) TP53TSHRTDP1CYP3A4MAPK1
SCHEMBL16961854 0.70 TSHR (0.48) TP53TSHRTDP1CYP3A4ALDH1A1
SCHEMBL820295 0.70 ALDH1A1 (0.52) TP53TSHRTDP1CYP3A4MAPK1
SCHEMBL42560 0.70 TDP1 (0.67) TP53TSHRTDP1CYP3A4MAPK1
SCHEMBL16955146 0.68 TP53 (0.46) TP53TSHRTDP1CYP3A4MAPK1

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 TP53 4316/4885TSHR 1014/4885TDP1 1863/4885

“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.