SCHEMBL3515732

SCHEMBL3515732

CCOC(=O)c1c(O)c2cc(C(=O)N3CCCCC3CCc3ccccc3)cnc2n(O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
P2RY12 Q9H244 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TACR1 P25103 1/20 0.37
RECQL P46063 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
SCHEMBL3517401 0.85 ALDH1A1 (0.41) POLBP2RY12MEN1KMT2AKDM4E
SCHEMBL3514695 0.82 OPRK1 (0.42) POLBNPC1RAB9AP2RY12MEN1
SCHEMBL3517631 0.79 MEN1 (0.45) RAB9AMEN1KMT2AKDM4ELMNA
SCHEMBL3517790 0.78 MAPT (0.48) NPC1RAB9AP2RY12MEN1KMT2A
SCHEMBL3517896 0.77 KDM4E (0.42) P2RY12KDM4ELMNARECQL
SCHEMBL3518509 0.75 KDM4E (0.50) KDM4ELMNARECQL
SCHEMBL3517034 0.75 KDM4E (0.47) POLBNPC1RAB9AP2RY12MEN1
SCHEMBL3517794 0.75 KDM4E (0.44) RAB9AMEN1KMT2AKDM4ELMNA
SCHEMBL3515322 0.74 ALDH1A1 (0.45) NPC1RAB9AKDM4ERECQL
SCHEMBL3517521 0.73 ALDH1A1 (0.44) KDM4ELMNARECQL

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 4 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
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US 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 GRM5 4881/4885POLB 25/4885NPC1 463/4885

“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.