SCHEMBL6019037

SCHEMBL6019037

O=C(Nc1ccccc1-c1ccccn1)c1scnc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.41
SCN5A Q14524 5/20 0.41
RAB9A P51151 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ATR Q13535 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL6018733 0.83 RAB9A (0.43) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL6018966 0.81 KDM4E (0.55) SCN9ASCN5ARAB9ANPC1MAPT
SCHEMBL6019359 0.75 RAB9A (0.54) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL6019248 0.74 LMNA (0.53) SCN9ASCN5AS1PR1S1PR3ATR
SCHEMBL28555588 0.74 KDR (0.57) RAB9ANPC1KDM4AKDM4BADORA3
SCHEMBL27508370 0.71 CHRNB2 (0.45) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL10772697 0.71 HDAC3 (0.45) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL28555585 0.70 CETP (0.51) TRPV1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6019227 0.69 HPGD (0.60) RAB9ANPC1MAPTALDH1A1
SCHEMBL7983969 0.68 NTRK1 (0.41) RAB9ANPC1KMT2AALDH1A1KDM4E

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 SCN9A 4299/4885SCN5A 4431/4885RAB9A 1263/4885

“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.