SCHEMBL4093950

SCHEMBL4093950

O=C(O)c1cc(NCCc2ccccc2C(F)(F)F)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 3/20 0.59
GAA P10253 1/20 0.51
CNR1 P21554 1/20 0.49
EGFR P00533 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
RGS12 O14924 1/20 0.49
LCK P06239 1/20 0.49
CAMKK2 Q96RR4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4C Q9H3R0 4/20 0.47
PPARA Q07869 1/20 0.45
STING1 Q86WV6 1/20 0.45
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CDK2 P24941 1/20 0.43
SYK P43405 2/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL4101857 0.89 NOX4 (0.52) NOX4GAACNR1EGFRALDH1A1
SCHEMBL30473064 0.89 NOX4 (0.52) NOX4GAACNR1EGFRALDH1A1
SCHEMBL4100274 0.85 PPARA (0.52) NOX4GAAEGFRALDH1A1MAPT
SCHEMBL608267 0.85 PPARA (0.52) NOX4GAAEGFRALDH1A1MAPT
SCHEMBL29391362 0.85 PPARA (0.52) NOX4GAAEGFRALDH1A1MAPT
SCHEMBL29391103 0.82 NOX4 (0.61) NOX4CNR1EGFRALDH1A1MAPT
SCHEMBL608266 0.82 NOX4 (0.61) NOX4CNR1EGFRALDH1A1MAPT
SCHEMBL607633 0.82 NOX4 (0.61) NOX4EGFRALDH1A1MAPTRGS12
SCHEMBL608754 0.80 NOX4 (0.61) NOX4EGFRALDH1A1MAPTRGS12
SCHEMBL607105 0.79 NOX4 (0.57) NOX4GAAEGFRALDH1A1MAPT

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-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2012-11-29 US disclosed
US-20090149542-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2009-06-11 US disclosed
US-20070298129-A1 Compounds and compositions for treating neuronal death or neurological dysfunction NEUROTECH PHARMACEUTICALS CO., LTD. (KR) 2007-12-27 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 (3 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-20090149542-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 NOX4 2363/4885GAA 43/4885CNR1 3748/4885
US-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 NOX4 2363/4885GAA 43/4885CNR1 3748/4885
US-20070298129-A1 Compounds and compositions for treating neuronal death or neurological dysfunction BCL2, BAX, SMN1; SMN2 NOX4 2363/4885GAA 43/4885CNR1 3748/4885

“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.