SCHEMBL3518921

SCHEMBL3518921

COc1ccc(NC(=O)c2c(O)c3cccnc3n(O)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
PPARG P37231 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL3514858 0.89 GRM4 (0.53) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3519638 0.86 KMT2A (0.47) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3517646 0.86 EGFR (0.57) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL9043908 0.85 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1PKM
SCHEMBL3516933 0.83 HPGD (0.56) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL3517379 0.81 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL3517675 0.80 CNR2 (0.47) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3514745 0.80 HTR2C (0.50) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL3518030 0.76 FEN1 (0.49) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL15154575 0.75 NPC1 (0.68) MAPTRAB9ASMN1; SMN2NPC1KMT2A

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 MAPT 3237/4885RAB9A 1295/4885SMN1; 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.