SCHEMBL3516535

SCHEMBL3516535

O=c1c(-c2ccccc2)c(O)c2cc(F)cnc2n1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
TSHR P16473 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A2 O94788 1/20 0.38
ALDH1A3 P47895 1/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
RCE1 Q9Y256 1/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.36
PIK3CD O00329 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
SCHEMBL3517053 0.87 MAPK8 (0.39) ALDH1A1TSHRKMT2AKDM4ERCE1
SCHEMBL3544652 0.86 KDM4E (0.42) ALDH1A1TSHRKMT2AKDM4ERCE1
SCHEMBL3514794 0.85 ALOX15 (0.40) ALDH1A1TSHRL3MBTL1KMT2AKDM4E
SCHEMBL3519161 0.84 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1KMT2AKDM4E
SCHEMBL3517898 0.83 FASN (0.42) KMT2AMEN1CYP1A2MAPTSMN1; SMN2
SCHEMBL3515820 0.83 ALOX15 (0.41) ALDH1A1TSHRKMT2AKDM4ERCE1
SCHEMBL3515121 0.83 TAAR1 (0.36) ALDH1A1TSHRL3MBTL1ALDH1A2ALDH1A3
SCHEMBL16274662 0.82 CYP1A2 (0.41) ALDH1A1TSHRKMT2AKDM4ERCE1
SCHEMBL3514931 0.81 ALDH1A1 (0.33) ALDH1A1TSHRL3MBTL1ALDH1A2ALDH1A3
SCHEMBL15585487 0.81 PTGS1 (0.40) ALDH1A1KMT2AKDM4EMEN1CYP1A2

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 1486/4885TSHR 3624/4885L3MBTL1 2155/4885

“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.