SCHEMBL5758300

SCHEMBL5758300

Cc1ccc(C)c(-n2cccc(C(=O)NCc3ccc(N(C)C)cc3)c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5755268 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EHTTHCRTR1HCRTR2
SCHEMBL5755639 0.88 CYP1A2 (0.48) ALDH1A1KDM4EHTTSMN1; SMN2HPGD
SCHEMBL5758984 0.88 KDM4E (0.45) ALDH1A1KDM4EHTTHCRTR1HCRTR2
SCHEMBL5757140 0.86 HPGD (0.54) ALDH1A1KDM4ESMN1; SMN2HPGDTP53
SCHEMBL6215080 0.82 RECQL (0.44) ALDH1A1KDM4ESMN1; SMN2HPGDTP53
SCHEMBL27644620 0.79 TP53 (0.41) ALDH1A1KDM4EHTTHCRTR1HCRTR2
SCHEMBL5755694 0.78 HPGD (0.44) ALDH1A1KDM4EHTTSMN1; SMN2HPGD
SCHEMBL5789313 0.78 ELANE (0.41) ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL5757751 0.76 HPGD (0.52) ALDH1A1KDM4EHPGDTP53MAPT
SCHEMBL5755996 0.75 CCR1 (0.48) ALDH1A1KDM4EHTTSMN1; SMN2HPGD

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
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 ALDH1A1 1465/4885KDM4E 3110/4885HTT 4034/4885

“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.