SCHEMBL3517896

SCHEMBL3517896

CCOC(=O)c1c(O)c2cc(C(=O)N(C)CCc3ccccc3)cnc2n(O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
P2RY12 Q9H244 1/20 0.38
LMNA P02545 3/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MLYCD O95822 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL3517794 0.91 KDM4E (0.44) KDM4ERECQLALDH1A1MAPTLMNA
SCHEMBL3517790 0.84 MAPT (0.48) KDM4ERECQLALDH1A1MAPTSMN1; SMN2
SCHEMBL3518509 0.81 KDM4E (0.50) KDM4ERECQLALDH1A1MAPTSMN1; SMN2
SCHEMBL3517034 0.81 KDM4E (0.47) KDM4ERECQLALDH1A1SMN1; SMN2P2RY12
SCHEMBL3517521 0.79 ALDH1A1 (0.44) KDM4ERECQLALDH1A1SMN1; SMN2LMNA
SCHEMBL3517401 0.78 ALDH1A1 (0.41) KDM4ERECQLALDH1A1MAPTSMN1; SMN2
SCHEMBL3517893 0.78 KDM4E (0.42) KDM4ERECQLALDH1A1SMN1; SMN2LMNA
SCHEMBL3519481 0.78 KDM4E (0.51) KDM4ERECQLALDH1A1MAPTSMN1; SMN2
SCHEMBL3516288 0.78 P2RY12 (0.49) KDM4EALDH1A1SMN1; SMN2P2RY12LMNA
SCHEMBL3514695 0.77 OPRK1 (0.42) KDM4ERECQLALDH1A1SMN1; SMN2P2RY12

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 4 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
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO 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 2380/4885RECQL 11/4885ALDH1A1 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.