SCHEMBL3516592

SCHEMBL3516592

O=C(Nc1ccccc1OCc1ccccn1)c1c(O)c2cccnc2n(O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 8/20 0.43
USP2 O75604 6/20 0.43
LMNA P02545 5/20 0.43
HTT P42858 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KDM4E B2RXH2 10/20 0.43
PKM P14618 2/20 0.43
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TP53 P04637 3/20 0.42
NLRP3 Q96P20 1/20 0.41

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
SCHEMBL3516933 0.88 HPGD (0.56) HPGDHSD17B10ALDH1A1USP2LMNA
SCHEMBL3517646 0.78 EGFR (0.57) HPGDALDH1A1USP2LMNAHTT
SCHEMBL9044708 0.75 HPGD (0.53) HPGDHSD17B10ALDH1A1USP2LMNA
SCHEMBL3517675 0.74 CNR2 (0.47) HPGDALDH1A1USP2LMNAHTT
SCHEMBL3517727 0.74 MEN1 (0.57) ALDH1A1USP2LMNAHTTSMN1; SMN2
SCHEMBL3517379 0.73 RAB9A (0.57) HPGDHSD17B10ALDH1A1LMNAHTT
SCHEMBL3518921 0.73 MAPT (0.50) HPGDHSD17B10ALDH1A1LMNASMN1; SMN2
SCHEMBL3519638 0.73 KMT2A (0.47) ALDH1A1LMNASMN1; SMN2NPSR1KDM4E
SCHEMBL3514858 0.73 GRM4 (0.53) HPGDALDH1A1USP2LMNAHTT
SCHEMBL3514745 0.73 HTR2C (0.50) PKMNPC1RAB9AMEN1KMT2A

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 HPGD 986/4885HSD17B10 1361/4885ALDH1A1 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.