SCHEMBL4934802

SCHEMBL4934802

Cc1cc2nc(CCC(NC(=O)OC(C)(C)C)C(=O)OCc3ccccc3)n(Cc3ccc(C(C)(C)C)cc3)c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.43
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
PPARA Q07869 1/20 0.40
P2RX3 P56373 1/20 0.39
CYP3A4 P08684 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
TACR1 P25103 1/20 0.37
ACE P12821 1/20 0.37
KLK7 P49862 2/20 0.37
PPARG P37231 1/20 0.37
KLK5 Q9Y337 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL4938392 0.94 GNRHR (0.43) GNRHRPPARAP2RX3CYP3A4SCN9A
SCHEMBL4938378 0.94 GNRHR (0.43) GNRHRPPARAP2RX3CYP3A4SCN9A
SCHEMBL4934920 0.91 TP53 (0.52) GNRHRTP53SMN1; SMN2POLBCYP3A4
SCHEMBL4934913 0.91 TP53 (0.52) GNRHRTP53SMN1; SMN2POLBCYP3A4
SCHEMBL4938470 0.90 P2RX3 (0.43) GNRHRTP53SMN1; SMN2POLBPPARA
SCHEMBL4938477 0.90 P2RX3 (0.43) GNRHRTP53SMN1; SMN2POLBPPARA
SCHEMBL4935218 0.89 GNRHR (0.43) GNRHRPPARAP2RX3CYP3A4SCN9A
SCHEMBL4935231 0.89 GNRHR (0.43) GNRHRPPARAP2RX3CYP3A4SCN9A
SCHEMBL4935924 0.89 CTSS (0.45) GNRHRTP53PPARACYP3A4SCN9A
SCHEMBL4935936 0.89 CTSS (0.45) GNRHRTP53PPARACYP3A4SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative KUREHA CORPORATION (JP) 2008-06-05 US disclosed
EP-1707560-A1 HYDROXAMIC ACID DERIVATIVE AND AGE GENERATION INHIBITOR CONTAINING THE DERIVATIVE Kureha Corporation (JP) 2006-10-04 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-20080132539-A1 Hydroxamic Acid Derivative And Age Generation Inhibitor Containing The Derivative HDAC5, HDAC1, HDAC9 GNRHR 4023/4885TP53 2597/4885SMN1; SMN2 3068/4885

“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.