SCHEMBL476806

SCHEMBL476806

Clc1cccc2oncc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 3/20 0.44
BRD4 O60885 1/20 0.41
NOS1 P29475 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 3/20 0.38
NR4A2 P43354 1/20 0.35
TSHR P16473 2/20 0.33
TDO2 P48775 1/20 0.33
GAA P10253 1/20 0.33
PSMB8 P28062 1/20 0.33
LMNA P02545 2/20 0.32
AHR P35869 2/20 0.32
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2005193 0.76 BRD4 (0.42) CYP1A2BRD4SMN1; SMN2HIF1ATSHR
SCHEMBL2736863 0.74 CYP3A4 (0.44) CYP1A2BRD4SMN1; SMN2HIF1ANR4A2
SCHEMBL2005190 0.74 BRD4 (0.41) BRD4TP53SMN1; SMN2HIF1ALMNA
SCHEMBL20871562 0.74 BRD4 (0.41) BRD4NOS1
SCHEMBL24399382 0.69 BRD4 (0.42) BRD4SMN1; SMN2LMNAKMT2AL3MBTL1
SCHEMBL21026104 0.69 BRD4 (0.42) BRD4TSHR
SCHEMBL30712749 0.69 BRD4 (0.60) CYP1A2CYP2A6BRD4TP53HIF1A
SCHEMBL21807206 0.69 LMNA (0.41) BRD4TP53SMN1; SMN2HIF1ATSHR
SCHEMBL29956060 0.69 BRD4 (0.42) BRD4TP53SMN1; SMN2HIF1A
SCHEMBL7021749 0.69 ERN1 (0.39) CYP2A6BRD4TP53SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411398-B1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-12-17 EP disclosed
US-8785651-B2 Method for manufacturing a boronic acid ester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND GENENTECH, INC. (US) 2012-05-17 US disclosed
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO disclosed
EP-0420464-B1 3-Isoxazolone derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1994-07-13 EP disclosed
US-5321037-A Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants SANKYO COMPANY, LIMITED (JP) 1994-06-14 US disclosed
EP-0335723-B1 ISOXAZOLE DERIVATIVES FOR USE AS CEREBRO-ACTIVE DRUGS AND CENTRAL MUSCLE RELAXANTS Sankyo Company Limited (JP) 1991-12-04 EP disclosed
EP-0420464-A2 3-Isoxazolone derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1991-04-03 EP disclosed
EP-0335723-A1 Isoxazole derivatives for use as cerebro-active drugs and central muscle relaxants Sankyo Company Limited (JP) 1989-10-04 EP 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-20120123122-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND NISCH, BRSK1, BLK CYP1A2 2457/4885CYP2A6 732/4885BRD4 158/4885

“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.