SCHEMBL6018912

SCHEMBL6018912

O=C(Nc1ccccc1-c1cccnc1)c1cccnc1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.75
ALDH1A1 P00352 5/20 0.58
HPGD P15428 2/20 0.58
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
IRAK4 Q9NWZ3 3/20 0.51
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 3/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL8074225 0.91 TDP1 (0.85) TDP1ALDH1A1HPGDALOX15TSHR
SCHEMBL6019378 0.88 TDP1 (0.81) TDP1ALDH1A1HPGDALOX15TSHR
Boscalid SCHEMBL29368300 0.86 TDP1 (1.00) TDP1ALDH1A1HPGDALOX15TSHR
Boscalid SCHEMBL29488452 0.86 TDP1 (1.00) TDP1ALDH1A1HPGDALOX15TSHR
Boscalid SCHEMBL18517 0.86 TDP1 (1.00) TDP1ALDH1A1HPGDALOX15TSHR
Boscalid SCHEMBL22444559 0.85 TDP1 (0.93) TDP1ALDH1A1HPGDALOX15TSHR
SCHEMBL4925771 0.85 TDP1 (0.79) TDP1ALDH1A1HPGDKDM4ERXFP1
Boscalid SCHEMBL4336201 0.85 TDP1 (0.97) TDP1ALDH1A1HPGDALOX15TSHR
Boscalid SCHEMBL6847778 0.85 TDP1 (0.97) TDP1ALDH1A1HPGDALOX15TSHR
Boscalid SCHEMBL3981357 0.85 TDP1 (0.97) TDP1ALDH1A1HPGDKDM4ERXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178513-A1 Pyridinylanilides BAYER CROPSCIENCE AG (DE) 2006-08-10 US disclosed
EP-1656020-A2 PYRIDINYLANILIDES Bayer CropScience AG (DE) 2006-05-17 EP disclosed
WO-2005004606-A2 PYRIDINYLANILIDES BAYER CROPSCIENCE AG (DE) 2005-01-20 WO 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-20060178513-A1 Pyridinylanilides C3AR1, C5, PADI1 TDP1 932/4885ALDH1A1 485/4885HPGD 2195/4885

“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.