SCHEMBL3514799

SCHEMBL3514799

CS(=O)(=O)Nc1cccc(-c2cccc(-c3cc(=O)n(O)c4ncccc34)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.52
MET P08581 1/20 0.44
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CLK4 Q9HAZ1 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 3/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FYN P06241 1/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 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
SCHEMBL3519741 0.81 BRD4 (0.47) BRD4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3516704 0.81 NR1H2 (0.45) BRD4MET
SCHEMBL3516974 0.78 PDE4A (0.47) ALDH1A1CLK4FYN
SCHEMBL3514447 0.77 BRD4 (0.50) BRD4METCYP1A2CYP3A4ALDH1A1
SCHEMBL3517754 0.77 PIK3CD (0.52) FYN
SCHEMBL3516305 0.77 BRD4 (0.50) BRD4
SCHEMBL4460861 0.76 FEN1 (0.47) BRD4ALDH1A1MAPK1HPGDCYP2C19
SCHEMBL3514716 0.76 PRMT5 (0.39)
SCHEMBL3517807 0.76 ELANE (0.53) BRD4CYP1A2CYP3A4CLK4CYP2D6
SCHEMBL3516381 0.75 CTSA (0.40)

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 BRD4 2682/4885MET 4754/4885CYP1A2 896/4885

“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.