SCHEMBL3514858

SCHEMBL3514858

COc1cccc(NC(=O)c2c(O)c3cccnc3n(O)c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.53
SLC11A2 P49281 1/20 0.52
RAB9A P51151 4/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TSHR P16473 2/20 0.48
TOP2A P11388 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HIF1A Q16665 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MAPK13 O15264 1/20 0.46
PIM1 P11309 1/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 2/20 0.46
NLRP3 Q96P20 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL3518921 0.89 MAPT (0.50) RAB9AKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL9044585 0.86 TOP2A (0.61) GRM4SLC11A2RAB9AKMT2AMEN1
SCHEMBL3519638 0.84 KMT2A (0.47) RAB9AKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3517646 0.84 EGFR (0.57) SLC11A2RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3516933 0.82 HPGD (0.56) RAB9AKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3517379 0.81 RAB9A (0.57) RAB9AKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL3514745 0.79 HTR2C (0.50) RAB9AKMT2AMEN1NPC1PKM
SCHEMBL3517675 0.78 CNR2 (0.47) RAB9ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL14478822 0.77 NPC1 (0.74) RAB9AKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL9043908 0.75 MAPT (0.49) RAB9AKMT2AMEN1SMN1; SMN2TOP2A

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 GRM4 4870/4885SLC11A2 2233/4885RAB9A 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.