SCHEMBL3517898

SCHEMBL3517898

O=c1c(-c2ccccc2)c(O)c2cc([N+](=O)[O-])cnc2n1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.42
F2RL3 Q96RI0 3/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 1/20 0.39
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38

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
SCHEMBL4478129 0.84 MAPT (0.39) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL3516535 0.83 ALDH1A1 (0.38) TDP1LMNACYP1A2POLBMEN1
SCHEMBL3517053 0.83 MAPK8 (0.39) LMNACYP1A2CYP2C9CYP2C19CNR2
SCHEMBL3544652 0.82 KDM4E (0.42) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3514794 0.82 ALOX15 (0.40) LMNAKMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL3519161 0.81 ALDH1A1 (0.38) LMNAKMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL3515820 0.80 ALOX15 (0.41) LMNANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL16274662 0.79 CYP1A2 (0.41) LMNACYP1A2CYP2C9CYP2D6CYP2C19
SCHEMBL3518153 0.77 AR (0.39) TDP1POLBMEN1KMT2A
SCHEMBL15585487 0.76 PTGS1 (0.40) CYP19A1CYP11B1CYP11B2LMNACYP1A2

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 FASN 2121/4885F2RL3 1772/4885CYP19A1 524/4885

“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.