SCHEMBL3517893

SCHEMBL3517893

CCOC(=O)c1c(O)c2cc(C(=O)NC(C)Cc3ccccc3)cnc2n(O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ACACB O00763 3/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE4B Q07343 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
SCHEMBL3517034 0.86 KDM4E (0.47) KDM4ERECQLALDH1A1RAB9ANPC1
SCHEMBL3517790 0.85 MAPT (0.48) KDM4ERECQLALDH1A1RAB9ANPC1
SCHEMBL3518509 0.80 KDM4E (0.50) KDM4ERECQLALDH1A1LMNAGAA
SCHEMBL3516288 0.80 P2RY12 (0.49) KDM4EALDH1A1RAB9ANPC1LMNA
SCHEMBL3517794 0.80 KDM4E (0.44) KDM4ERECQLALDH1A1RAB9ALMNA
SCHEMBL3517896 0.78 KDM4E (0.42) KDM4ERECQLALDH1A1LMNAGAA
SCHEMBL3517521 0.78 ALDH1A1 (0.44) KDM4ERECQLALDH1A1LMNASMN1; SMN2
SCHEMBL13435287 0.78 ROCK2 (0.50) LMNATP53SMN1; SMN2KMT2A
SCHEMBL3519481 0.77 KDM4E (0.51) KDM4ERECQLALDH1A1RAB9ANPC1
SCHEMBL13435288 0.77 P2RY12 (0.52) KDM4EALDH1A1NPC1LMNAGAA

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 2380/4885ACACB 3433/4885RECQL 11/4885

“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.