SCHEMBL3516366

SCHEMBL3516366

CCOC(=O)c1c(-c2ccc(CCc3ccncc3)cc2)c2cccnc2n(OCc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
AR P10275 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SLC11A2 P49281 1/20 0.37
NPC1 O15118 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
SCHEMBL3515865 0.89 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL3514327 0.85 MEN1 (0.40) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL1522959 0.82 KDM4E (0.53) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL3519088 0.81 MEN1 (0.47) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL3517570 0.77 MEN1 (0.39) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL3518229 0.76 KDM4E (0.44) SMN1; SMN2LMNAKDM4EALDH1A1HPGD
SCHEMBL15847071 0.76 PTGDR2 (0.46) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL3517138 0.75 MEN1 (0.42) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL16274604 0.73 KDM4E (0.48) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL16238692 0.72 CNR2 (0.46) MEN1KMT2ALMNAKDM4EALDH1A1

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
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP 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 MEN1 3126/4885KMT2A 2764/4885SMN1; SMN2 1566/4885

“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.