SCHEMBL3519161

SCHEMBL3519161

CC(=O)c1cnc2c(c1)c(O)c(-c1ccccc1)c(=O)n2OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
MITF O75030 1/20 0.38
MAPK1 P28482 1/20 0.38
PAX8 Q06710 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RCE1 Q9Y256 1/20 0.38
MAPK8 P45983 3/20 0.38
PDE1B Q01064 1/20 0.38
FYN P06241 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
DPP4 P27487 1/20 0.35
BCL2 P10415 1/20 0.35

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
SCHEMBL13435224 0.88 MAPT (0.40) ALDH1A1LMNAMAPTPKMMITF
SCHEMBL3544652 0.85 KDM4E (0.42) ALDH1A1LMNAMAPTKDM4ERCE1
SCHEMBL3517053 0.84 MAPK8 (0.39) ALDH1A1LMNAKDM4ERCE1MAPK8
SCHEMBL3516535 0.84 ALDH1A1 (0.38) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL3514794 0.82 ALOX15 (0.40) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL3517898 0.81 FASN (0.42) LMNAMAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL3515820 0.81 ALOX15 (0.41) ALDH1A1LMNAKDM4ERCE1KMT2A
SCHEMBL3518784 0.80 KMT2A (0.42) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL16274662 0.80 CYP1A2 (0.41) ALDH1A1LMNAMAPK1KDM4ERCE1
SCHEMBL3518153 0.78 AR (0.39) PKMMAPK8KMT2A

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 ALDH1A1 1486/4885LMNA 658/4885MAPT 3237/4885

“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.