SCHEMBL4095116

SCHEMBL4095116

O=C(O)c1cc(NCCCCc2ccccc2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 2/20 0.57
SYK P43405 2/20 0.55
ASPH Q12797 3/20 0.53
KDM8 Q8N371 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RIOX2 Q8IUF8 2/20 0.53
EGLN1 Q9GZT9 1/20 0.53
EGFR P00533 3/20 0.53
KDM4C Q9H3R0 2/20 0.52
KDM6B O15054 1/20 0.52
PPARA Q07869 1/20 0.52
STING1 Q86WV6 1/20 0.52
MCL1 Q07820 2/20 0.51
BCL2L1 Q07817 1/20 0.51
BCL2A1 Q16548 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
RGS12 O14924 1/20 0.50
LCK P06239 1/20 0.50
CAMKK2 Q96RR4 1/20 0.50

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
SCHEMBL610427 0.96 SYK (0.59) NOX4SYKASPHKDM8KDM4E
SCHEMBL608754 0.90 NOX4 (0.61) NOX4SYKASPHKDM8KDM4E
SCHEMBL29390491 0.85 PPARA (0.68) NOX4SYKEGFRKDM4CPPARA
SCHEMBL607642 0.85 PPARA (0.68) NOX4SYKEGFRKDM4CPPARA
SCHEMBL608860 0.84 MCL1 (0.58) NOX4SYKEGFRKDM4CPPARA
SCHEMBL609853 0.82 KDM4C (0.51) NOX4SYKASPHKDM8KDM4E
SCHEMBL10767712 0.81 KAT8 (0.56) NOX4SYKEGFRKDM4CPPARA
SCHEMBL29532272 0.81 KDM4C (0.76) NOX4SYKKDM4EEGFRKDM4C
SCHEMBL611490 0.81 KDM4C (0.76) NOX4SYKKDM4EEGFRKDM4C
SCHEMBL10759621 0.80 KAT8 (0.58) NOX4SYKEGFRKDM4CPPARA

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 2363/4885SYK 4769/4885ASPH 2284/4885
US-20120301551-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING NEURONAL DEATH OR NEUROLOGICAL DYSFUNCTION BCL2, BAX, SMN1; SMN2 NOX4 2363/4885SYK 4769/4885ASPH 2284/4885
US-20070298129-A1 Compounds and compositions for treating neuronal death or neurological dysfunction BCL2, BAX, SMN1; SMN2 NOX4 2363/4885SYK 4769/4885ASPH 2284/4885

“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.