SCHEMBL3518487

SCHEMBL3518487

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)cnc1NOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
FFAR1 O14842 2/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
PPIA P62937 2/20 0.42
PPIF P30405 1/20 0.42
LMNA P02545 2/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40

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
SCHEMBL3514409 0.92 MAOB (0.47) NPC1RAB9AFFAR1MEN1MAPT
SCHEMBL3516071 0.85 MAPT (0.48) NPC1RAB9AFFAR1MEN1MAPT
SCHEMBL4340763 0.80 MAOB (0.40) FFAR1MEN1MAPTKMT2AKDM4E
SCHEMBL3514831 0.78 SMN1; SMN2 (0.46) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3517509 0.78 MAOB (0.41) FFAR1MEN1MAPTKMT2ALMNA
SCHEMBL3515762 0.77 LMNA (0.50) NPC1RAB9AMAPTKDM4EPPIA
SCHEMBL3514626 0.76 KMT2A (0.48) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL3514925 0.76 ALDH1A1 (0.45) KDM4EPOLBLMNAALDH1A1MAPK1
SCHEMBL12579455 0.74 MEN1 (0.56) RAB9AFFAR1MEN1MAPTKMT2A
SCHEMBL7900646 0.73 MAOB (0.55) MEN1MAPTKMT2AKDM4EPOLB

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 3 patents. 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
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO 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 1295/4885FFAR1 4280/4885

“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.