SCHEMBL3516004

SCHEMBL3516004

CCOC(=O)c1c(O)c2cc(-c3ccccc3OC)cnc2n(O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.48
PTGES O14684 1/20 0.48
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
RECQL P46063 1/20 0.42
ERN1 O75460 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL14306396 0.90 ALOX5 (0.46) ALOX5PTGESALDH1A1TSHR
SCHEMBL3517735 0.86 ALOX5 (0.45) ALOX5PTGESKDM4EALDH1A1RECQL
SCHEMBL3519481 0.86 KDM4E (0.51) KDM4EALDH1A1RECQLTSHRLMNA
SCHEMBL3518359 0.83 KDM4E (0.48) KDM4EALDH1A1RECQLTSHRLMNA
SCHEMBL3517668 0.83 KDM4E (0.48) ALOX5PTGESKDM4EALDH1A1RECQL
SCHEMBL3517897 0.81 ALOX5 (0.41) ALOX5PTGES
SCHEMBL3519310 0.81 KDM4E (0.44) ALOX5KDM4EALDH1A1RECQLLMNA
SCHEMBL15528328 0.81 ALDH1A1 (0.41) KDM4EALDH1A1RECQLLMNA
SCHEMBL3517888 0.81 ALDH1A1 (0.42) ALOX5PTGESKDM4EALDH1A1RECQL
SCHEMBL3514731 0.80 KDM5A (0.43) KDM4EALDH1A1RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL ALOX5 3513/4885PTGES 4180/4885KDM4E 2380/4885

“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.