SCHEMBL5476505

SCHEMBL5476505

CC(CCCC(N)=O)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.45
▸ TSHR P16473 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ DDO Q99489 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ APAF1 O14727 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
SCHEMBL5475936 0.85 KDM4E (0.48) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL20621731 0.78 BRD4 (0.53) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL828487 0.74 BRD4 (0.59) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL8647980 0.74 DAO (0.51) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL22623913 0.73 PDGFRB (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL24851990 0.73 IL4I1 (0.52) KDM4ETSHRALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL22159198 0.73 BRD4 (0.54) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL30838562 0.72 KDM4E (0.49) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL27968059 0.70 KDM4E (0.50) KDM4ETSHRALDH1A1HPGDHSD17B10
SCHEMBL27508643 0.70 ALOX5 (0.53) KDM4ETSHRALDH1A1HPGDHSD17B10

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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof AGRIUS GROUP, LLC. 2007-12-13 — — 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-20070287706-A1 Certain substituted quinolones, compositions, and uses thereof ABCG2, ATP5ME, ATP5MG KDM4E 2403/4885TSHR 4758/4885ALDH1A1 1055/4885

“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.

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