SCHEMBL4459742

SCHEMBL4459742

COc1ccc(C(CC(N)=O)C(N)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
PARP10 Q53GL7 2/20 0.47
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
ALOX5 P09917 1/20 0.45
EPHX1 P07099 1/20 0.44
AOC3 Q16853 2/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL29016707 0.84 CA1 (0.48) TNFMMP9MMP8MMP13L3MBTL1
SCHEMBL28140713 0.84 AKR1C3 (0.54) MMP9MMP8MMP13CA1CA2
SCHEMBL3910474 0.84 GAA (0.60) TNFGAAHTTLMNAL3MBTL1
SCHEMBL11080163 0.83 ALOX5 (0.47) TNFGAAHTTMMP9MMP8
SCHEMBL28014055 0.83 CA1 (0.47) TNFMMP9MMP8MMP13L3MBTL1
SCHEMBL6289375 0.83 CA1 (0.47) TNFMMP9MMP8MMP13L3MBTL1
SCHEMBL31437697 0.83 GAA (0.62) GAAHTTLMNAMMP9MMP8
SCHEMBL11071292 0.82 L3MBTL1 (0.61) TNFL3MBTL1CA1CA2PARP10
SCHEMBL27702953 0.82 TNF (0.55) TNFGAAHTTLMNAL3MBTL1
SCHEMBL21959089 0.81 EPHX1 (0.57) HTTCA1CA2PARP10PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS CONSEJO SUPERIOR DE (ES) 2009-12-03 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 (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-20090298781-A1 COMPOUNDS FOR THE INHIBITION OF APOPTOSIS BAX, BCL2, CASP3 TNF 141/4885GAA 482/4885HTT 3489/4885

“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.