SCHEMBL6018733

SCHEMBL6018733

O=C(Nc1ccccc1-c1ccccn1)c1scnc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
ADORA3 P0DMS8 2/20 0.41
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
GRM5 P41594 1/20 0.39
STK33 Q9BYT3 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39

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
SCHEMBL6019037 0.83 SCN9A (0.41) RAB9ANPC1MAPTADORA3KDM4A
SCHEMBL6019359 0.79 RAB9A (0.54) RAB9ANPC1MAPTKDM4EPDE10A
SCHEMBL28555588 0.78 KDR (0.57) RAB9ANPC1ADORA3KDM4AKDM4B
SCHEMBL10772697 0.74 HDAC3 (0.45) RAB9ANPC1MAPTGRM5STK33
SCHEMBL27508370 0.74 CHRNB2 (0.45) RAB9ANPC1MAPTADORA3KDM4A
SCHEMBL6019227 0.72 HPGD (0.60) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL6019010 0.72 ATM (0.47) GRM5ATMATRALDH1A1TDP1
SCHEMBL6018724 0.71 TDP1 (0.70) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL6019417 0.71 KDM4E (0.52) RAB9ANPC1MAPTGRM5STK33
SCHEMBL6018966 0.71 KDM4E (0.55) RAB9ANPC1MAPTKDM4EPDE10A

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 RAB9A 1263/4885NPC1 4734/4885MAPT 3156/4885

“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.