SCHEMBL6019991

SCHEMBL6019991

Nc1ccccc1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 1/20 0.51
GAA P10253 1/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HTT P42858 3/20 0.48
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL11077845 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL6019107 0.83 CYP1A2 (0.45) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL1416429 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL6017130 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL6017131 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL15318811 0.79 PDK2 (0.42) ALDH1A1SMN1; SMN2CYP3A4NPC1RAB9A
SCHEMBL17144668 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL7713824 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EPOLBCYP1A2
SCHEMBL10807183 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6017565 0.76 HPGD (0.50) ALDH1A1SMN1; SMN2KDM4EPOLBCYP2C19

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 ALDH1A1 485/4885SMN1; SMN2 3749/4885KDM4E 2796/4885

“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.