SCHEMBL3518501

SCHEMBL3518501

O=c1cc(-c2ccc(-c3ccn[nH]3)cc2)c2cccnc2n1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
SCN4A P35499 2/20 0.39
BCAT2 O15382 2/20 0.37
POLB P06746 2/20 0.37
PTPN11 Q06124 1/20 0.37
HPGDS O60760 1/20 0.37
FEN1 P39748 1/20 0.36
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
LTA4H P09960 2/20 0.36
DAO P14920 1/20 0.36
PDPK1 O15530 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL3515990 0.90 FEN1 (0.40) HPGDSFEN1DAOMAPTNOTUM
SCHEMBL4460861 0.82 FEN1 (0.47) SMN1; SMN2MAPK1FEN1DAOALDH1A1
SCHEMBL3517544 0.80 FEN1 (0.42) NPC1RAB9AFEN1DAO
SCHEMBL3514248 0.78 FEN1 (0.38) MAPK1FEN1DAO
Bromide SCHEMBL3517803 0.77 FEN1 (0.37) MAPK1FEN1DAO
SCHEMBL3517459 0.76 GSTP1 (0.44) FEN1MIFALDH1A1
SCHEMBL3519477 0.76 GLO1 (0.41) FEN1DAOCYP2A6
SCHEMBL3518307 0.75 POLB (0.50) NPC1RAB9APOLBFEN1MAPT
SCHEMBL3514404 0.75 CYP3A4 (0.38) FEN1DAOPRMT5WDR77ALDH1A1
SCHEMBL3517754 0.74 PIK3CD (0.52) FEN1DAO

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 NPC1 463/4885RAB9A 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.