SCHEMBL5341763

SCHEMBL5341763

COC(=O)Nc1nc2cc(Sc3ccc(NC(=O)Nc4cc([N+](=O)[O-])ccc4C)cc3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 6/20 0.53
KDR P35968 5/20 0.53
MMP1 P03956 1/20 0.52
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
MAPT P10636 6/20 0.48
POLB P06746 4/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NR1I2 O75469 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPK14 Q16539 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
MAPK1 P28482 4/20 0.44
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
BLM P54132 1/20 0.41
APEX1 P27695 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
SCHEMBL14375460 0.93 TEK (0.61) TEKKDRMMP1MEN1KMT2A
SCHEMBL7011752 0.92 MAPT (0.51) TEKKDRMMP1MEN1KMT2A
SCHEMBL7011747 0.92 MAPT (0.51) TEKKDRMMP1MEN1KMT2A
SCHEMBL5345721 0.91 TEK (0.64) TEKKDRMMP1MEN1KMT2A
SCHEMBL5347951 0.87 KDR (0.57) TEKKDRMEN1KMT2AMAPT
SCHEMBL14375462 0.84 TEK (0.74) TEKKDRMMP1MEN1KMT2A
SCHEMBL7101422 0.83 MEN1 (0.54) TEKKDRMMP1MEN1KMT2A
SCHEMBL7101420 0.83 MEN1 (0.54) TEKKDRMMP1MEN1KMT2A
SCHEMBL11874445 0.81 MEN1 (0.61) TEKKDRMEN1KMT2AMAPT
SCHEMBL7103564 0.80 MAPT (0.51) TEKKDRMEN1KMT2AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US claimed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US claimed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 TEK 5/4885KDR 2/4885MMP1 2829/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 TEK 5/4885KDR 2/4885MMP1 2829/4885

“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.