SCHEMBL10085449

SCHEMBL10085449

CCc1cccc(NC(=O)Cc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
GLS O94925 2/20 0.51
HSD17B10 Q99714 1/20 0.51
EPHX2 P34913 1/20 0.50
DEGS1 O15121 1/20 0.50
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
MEN1 O00255 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
ELOVL1 Q9BW60 1/20 0.48
CACNA1G O43497 1/20 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
SCHEMBL6361201 0.83 CHRNB2 (0.53) RAB9ASMN1; SMN2NPC1CHRNB2CHRNB4
SCHEMBL3111821 0.82 CHRNB2 (0.56) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL20917674 0.81 ALDH1A1 (0.53) KMT2ARAB9ASMN1; SMN2NPC1GLS
SCHEMBL91504 0.80 CHRNB2 (0.54) KMT2ASMN1; SMN2MEN1CHRNB2CHRNB4
SCHEMBL10082146 0.80 MAP3K5 (0.53) KMT2ARAB9ASMN1; SMN2NPC1MEN1
SCHEMBL21501910 0.79 GLS (0.74) GLSHSD17B10DEGS1
SCHEMBL10084523 0.79 KMT2A (0.70) KMT2ARAB9ASMN1; SMN2NPC1CDK2
SCHEMBL16061317 0.79 RAB9A (0.59) KMT2ARAB9ASMN1; SMN2NPC1GLS
SCHEMBL10079027 0.78 NPC1 (0.58) KMT2ARAB9ASMN1; SMN2NPC1GLS
SCHEMBL10084546 0.78 KDM4E (0.51) KMT2ARAB9ASMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119645-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-11-26 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-20090291969-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 KMT2A 663/4885RAB9A 3411/4885SMN1; SMN2 4328/4885

“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.