SCHEMBL3516722

SCHEMBL3516722

CN(Cc1ccccc1)C(=O)c1c(O)c2cccnc2n(O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
APOBEC3A P31941 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TACR1 P25103 4/20 0.43
KAT2B Q92831 1/20 0.43
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3514828 0.83 FEN1 (0.46) ALDH1A1CNR1CNR2TP53MEN1
SCHEMBL3517727 0.78 MEN1 (0.57) ALDH1A1CNR1CNR2TP53MEN1
SCHEMBL3516175 0.77 CNR2 (0.41) CNR1CNR2
SCHEMBL3518030 0.77 FEN1 (0.49) ALDH1A1CNR1CNR2TP53MEN1
SCHEMBL3517794 0.74 KDM4E (0.44) ALDH1A1TACR1MEN1KMT2AKDM4E
SCHEMBL16250051 0.74 FEN1 (0.49) ALDH1A1CNR1CNR2TP53KDM4E
SCHEMBL3517675 0.73 CNR2 (0.47) ALDH1A1CNR1CNR2TP53KDM4E
SCHEMBL3514525 0.73 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3517646 0.73 EGFR (0.57) ALDH1A1CNR1CNR2TP53MEN1
SCHEMBL3516083 0.72 CNR2 (0.39) CNR1CNR2

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 1 patent. 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

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 ALDH1A1 1486/4885APOBEC3A 884/4885CNR1 4017/4885

“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.