SCHEMBL3515889

SCHEMBL3515889

CCOC(=O)c1c(O)c2c(-c3cccc(Br)c3)ccnc2n(O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX5 P09917 3/20 0.43
PTGES O14684 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL3516138 0.88 KDM4E (0.46) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3515919 0.85 KIT (0.38) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL3519528 0.85 NPC1 (0.43) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3515909 0.75 MAPT (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTMAPK1
SCHEMBL3516418 0.74 ALDH1A1 (0.37) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3519526 0.74 KDM4E (0.45) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3514525 0.72 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL16517422 0.71 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3517786 0.71 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MAPTTDP1
SCHEMBL3515891 0.71 ALDH1A1 (0.37) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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 6 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
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
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 NPC1 463/4885RAB9A 1295/4885ALDH1A1 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.