SCHEMBL964808

SCHEMBL964808

CC(Br)c1cccc(NC(=O)C(C)(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ADORA1 P30542 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
XIAP P98170 1/20 0.40
BIRC2 Q13490 1/20 0.40
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 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
SCHEMBL6484229 0.89 ADORA1 (0.43) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL5474017 0.88 SMN1; SMN2 (0.45) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL966489 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL921576 0.82 L3MBTL1 (0.54) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL968790 0.78 GRM5 (0.51) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29581363 0.78 GRM5 (0.51) ADORA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25676388 0.77 SMN1; SMN2 (0.44) SMN1; SMN2XIAPBIRC2RAB9AKDM4E
SCHEMBL10691212 0.77 SMN1; SMN2 (0.41) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL10691207 0.76 ADORA1 (0.46) SMN1; SMN2ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL126159 0.76 RAB9A (0.68) SMN1; SMN2RAB9APOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557849-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-10-15 US disclosed
EP-2257168-B1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER IP GMBH (DE) 2013-06-05 EP disclosed
US-20110015236-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-01-20 US disclosed
EP-2257168-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2010-12-08 EP disclosed
WO-2009115556-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-09-24 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-20110015236-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES CYP51A1, HAAO, HPD SMN1; SMN2 4458/4885ADORA1 4680/4885CYP1A2 33/4885

“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.