SCHEMBL3514447

SCHEMBL3514447

CS(=O)(=O)Nc1cccc(-c2cnc3c(c2)c(O)cc(=O)n3O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.50
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
CYP1A2 P05177 5/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MET P08581 2/20 0.45
LMNA P02545 3/20 0.44
CLK4 Q9HAZ1 3/20 0.44
USP2 O75604 2/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
FYN P06241 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL13435286 0.80 PLCG1 (0.34)
SCHEMBL3518526 0.78 MAP4K4 (0.44) MEN1
SCHEMBL3514799 0.77 BRD4 (0.52) BRD4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15557552 0.71 FYN (0.41) BRD4RAF1BRAFCYP1A2CYP3A4
SCHEMBL24391037 0.71 GLO1 (0.60) BRD4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15557175 0.68 PIK3CA (0.61) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL15135607 0.68 NPY5R (0.57) BRD4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15555803 0.68 BRD4 (0.51) BRD4RAF1CYP1A2CYP3A4CYP2D6
SCHEMBL16651872 0.67 BRD4 (1.00) BRD4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21092440 0.67 KIF11 (0.69) BRD4CYP1A2CYP3A4CYP2D6CYP2C19

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 2 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

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 2682/4885RAF1 2073/4885BRAF 3621/4885

“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.