SCHEMBL3515519

SCHEMBL3515519

CCOC(=O)c1cnc2c(c1)c(O)c(C(=O)NCc1ccccc1)c(=O)n2OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 6/20 0.44
HTT P42858 4/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S1PR3 Q99500 3/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
ALOX12 P18054 1/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL3516270 0.94 KDM4E (0.45) P2RY12MEN1KMT2ANPC1RAB9A
SCHEMBL3516194 0.92 MEN1 (0.48) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3516982 0.91 KDM4E (0.47) P2RY12MEN1KMT2AKDM4EHTT
SCHEMBL3516807 0.88 KDM4E (0.45) P2RY12MEN1KMT2AKDM4EHTT
SCHEMBL3516288 0.88 P2RY12 (0.49) P2RY12MEN1KMT2ANPC1RAB9A
SCHEMBL3514749 0.86 KDM4E (0.47) MEN1KMT2AKDM4EHTTMAPK1
SCHEMBL3517034 0.82 KDM4E (0.47) P2RY12MEN1KMT2ANPC1RAB9A
SCHEMBL3515900 0.82 LMNA (0.44) NPC1RAB9AKDM4EMAPK1SMN1; SMN2
SCHEMBL3517692 0.81 KDM4E (0.47) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3514250 0.81 ALDH1A1 (0.47) MEN1KMT2AKDM4EHTTMAPK1

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 P2RY12 4713/4885MEN1 3126/4885KMT2A 2764/4885

“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.