SCHEMBL4938477

SCHEMBL4938477

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.43
GNRHR P30968 1/20 0.41
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACE P12821 1/20 0.39
POLB P06746 1/20 0.39
CCR9 P51686 5/20 0.38
PTPN1 P18031 1/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
SCN9A Q15858 2/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
CYP3A4 P08684 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL4938470 1.00 P2RX3 (0.43) P2RX3GNRHRTP53SMN1; SMN2KCNH2
SCHEMBL4934802 0.90 GNRHR (0.43) P2RX3GNRHRTP53SMN1; SMN2ACE
SCHEMBL4933601 0.88 TP53 (0.54) TP53SMN1; SMN2POLBPTPN1PPARG
SCHEMBL4933609 0.88 TP53 (0.54) TP53SMN1; SMN2POLBPTPN1PPARG
SCHEMBL4938061 0.88 GNRHR (0.40) GNRHRTP53SMN1; SMN2POLBPPARG
SCHEMBL4938075 0.88 GNRHR (0.40) GNRHRTP53SMN1; SMN2POLBPPARG
SCHEMBL4938378 0.83 GNRHR (0.43) P2RX3GNRHRPPARAPPARGSCN9A
SCHEMBL4938392 0.83 GNRHR (0.43) P2RX3GNRHRPPARAPPARGSCN9A
SCHEMBL4934976 0.82 SCN9A (0.42) GNRHRPPARAPPARGSCN9ACYP3A4
SCHEMBL4934989 0.82 SCN9A (0.42) GNRHRPPARAPPARGSCN9ACYP3A4

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 P2RX3 4797/4885GNRHR 4023/4885TP53 2597/4885

“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.