SCHEMBL3517696

SCHEMBL3517696

O=c1cc(-c2ccccc2)c2cccnc2n1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MAOB P27338 1/20 0.39
GSTP1 P09211 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 3/20 0.36
P2RY14 Q15391 1/20 0.36
ELANE P08246 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3519074 0.91 PIK3CD (0.44) ALDH1A1TSHROPRM1OPRD1MAPT
SCHEMBL3515749 0.88 MAOA (0.42) ALDH1A1TSHROPRM1OPRD1MAOB
SCHEMBL3516281 0.88 GRK2 (0.42) ALDH1A1TSHROPRM1OPRD1
SCHEMBL3514697 0.86 DRD2 (0.44) ALDH1A1TSHRHSD17B10MAPTKDM4E
SCHEMBL3515379 0.84 KDM4E (0.45) ALDH1A1TSHROPRM1OPRD1MAOB
SCHEMBL3514631 0.84 ALDH1A1 (0.41) ALDH1A1TSHROPRM1OPRD1MAPT
SCHEMBL16274641 0.83 CYP1A2 (0.41) ALDH1A1TSHRMAOBGSTP1HSD17B10
SCHEMBL3515597 0.81 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10MAPTL3MBTL1
SCHEMBL20564787 0.81 HSD17B10 (0.41) ALDH1A1TSHRHSD17B10CYP2C19MEN1
SCHEMBL3517744 0.80 CYP19A1 (0.35) ALDH1A1TSHROPRM1OPRD1MAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12502362-B2 Inhibitors of nucleotidyltransferase superfamily enzymes as antibiotics SAINT LOUIS UNIVERSITY (US) 2025-12-23 US disclosed
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS SAINT LOUIS UNIVERSITY (US) 2020-05-14 US disclosed
WO-2018213378-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS SAINT LOUIS UNIVERSITY (US) 2018-11-22 WO disclosed
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 (3 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-12502362-B2 Inhibitors of nucleotidyltransferase superfamily enzymes as antibiotics DNTT, APRT, RNGTT ALDH1A1 1388/4885TSHR 2836/4885OPRM1 2036/4885
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL ALDH1A1 1486/4885TSHR 3624/4885OPRM1 1798/4885
US-20200147086-A1 INHIBITORS OF NUCLEOTIDYLTRANSFERASE SUPERFAMILY ENZYMES AS ANTIBIOTICS DNTT, APRT, RNGTT ALDH1A1 1388/4885TSHR 2836/4885OPRM1 2036/4885

“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.