SCHEMBL3544652

SCHEMBL3544652

CCc1cnc2c(c1)c(O)c(-c1ccccc1)c(=O)n2OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
RCE1 Q9Y256 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
MAPK8 P45983 4/20 0.37
MEN1 O00255 1/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL3515820 0.87 ALOX15 (0.41) KDM4ERCE1ALDH1A1TSHRGAA
SCHEMBL3517053 0.86 MAPK8 (0.39) KDM4ERCE1ALDH1A1TSHRGAA
SCHEMBL3516535 0.86 ALDH1A1 (0.38) KDM4ERCE1ALDH1A1TSHRGAA
SCHEMBL3519161 0.85 ALDH1A1 (0.38) KDM4ERCE1ALDH1A1TSHRGAA
SCHEMBL3514794 0.84 ALOX15 (0.40) KDM4ERCE1ALDH1A1TSHRGAA
SCHEMBL3517898 0.82 FASN (0.42) KMT2ALMNASMN1; SMN2MAPTMEN1
SCHEMBL3518351 0.82 KDM4E (0.47) KDM4ERCE1ALDH1A1GAAKMT2A
SCHEMBL16274662 0.81 CYP1A2 (0.41) KDM4ERCE1ALDH1A1TSHRGAA
SCHEMBL3518153 0.79 AR (0.39) KMT2AMAPK8MEN1
SCHEMBL15585487 0.78 PTGS1 (0.40) KDM4EALDH1A1KMT2ALMNAMAPT

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-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 KDM4E 2380/4885RCE1 283/4885ALDH1A1 1486/4885

“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.