SCHEMBL3514745

SCHEMBL3514745

O=C(Nc1ccc(Oc2ccccc2)nc1)c1c(O)c2cccnc2n(O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.50
DGAT1 O75907 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
GALR3 O60755 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
LTA4H P09960 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
SCHEMBL3519638 0.87 KMT2A (0.47) RAB9ANPC1MEN1CASP3KMT2A
SCHEMBL3517646 0.83 EGFR (0.57) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL3517379 0.80 RAB9A (0.57) RAB9ANPC1GAAMAPK1MEN1
SCHEMBL3518921 0.80 MAPT (0.50) RAB9ANPC1L3MBTL1GAAPKM
SCHEMBL3514858 0.79 GRM4 (0.53) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL9046046 0.78 KMT2A (0.46) RAB9ANPC1L3MBTL1MEN1CASP3
SCHEMBL3516933 0.76 HPGD (0.56) RAB9ANPC1L3MBTL1MAPK1MEN1
SCHEMBL3517675 0.73 CNR2 (0.47) RAB9ANPC1
SCHEMBL3517727 0.73 MEN1 (0.57) RAB9ANPC1L3MBTL1PKMMEN1
SCHEMBL3516592 0.73 HPGD (0.46) RAB9ANPC1PKMMEN1KMT2A

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 HTR2C 3888/4885DGAT1 4005/4885RAB9A 1295/4885

“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.