SCHEMBL1860702

SCHEMBL1860702

Cc1cccc(NC(=O)C(C)(C)C)[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
CETP P11597 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LCK P06239 1/20 0.35
CTSL P07711 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35

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
SCHEMBL14634232 0.80 LCK (0.39) MAPTCA12CA1CA9LMNA
SCHEMBL9590377 0.74 L3MBTL1 (0.42) L3MBTL1NPSR1ALDH1A1MAPTCETP
SCHEMBL14634229 0.74 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL14633891 0.72 NLRP3 (0.42) L3MBTL1
SCHEMBL2034476 0.70 L3MBTL1 (0.44) L3MBTL1NPSR1ALDH1A1MAPTCETP
SCHEMBL1721632 0.70 L3MBTL1 (0.44) L3MBTL1NPSR1ALDH1A1MAPTCETP
SCHEMBL9710617 0.69 HSD17B10 (0.45) L3MBTL1ALDH1A1MAPTLMNAKDM4E
SCHEMBL16328316 0.68 L3MBTL1 (0.46) L3MBTL1NPSR1ALDH1A1MAPTCETP
SCHEMBL901118 0.67 L3MBTL1 (0.54) L3MBTL1NPSR1ALDH1A1MAPTLMNA
SCHEMBL12189259 0.67 L3MBTL1 (0.44) L3MBTL1NPSR1ALDH1A1MAPTCETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 US disclosed
EP-2265118-A2 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2010-12-29 EP disclosed
WO-2009115557-A2 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-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HAAO, CYP51A1, HPD L3MBTL1 3109/4885NPSR1 4690/4885ALDH1A1 3321/4885

“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.