SCHEMBL4425426

SCHEMBL4425426

[CH2]Cc1ccc(NC(=O)c2cc(C(C)(C)C)nn2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 2/20 0.59
MAPK14 Q16539 7/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK11 Q15759 2/20 0.52
ERBB2 P04626 1/20 0.52
GALR3 O60755 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.51
GRN P28799 1/20 0.51
SORT1 Q99523 1/20 0.51
POLB P06746 1/20 0.50
HTR1E P28566 1/20 0.49
S1PR3 Q99500 1/20 0.49
AAK1 Q2M2I8 1/20 0.49

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
SCHEMBL1900620 0.85 MAPK14 (0.59) NPSR1MAPK1MAPTMAPK14CNR1
SCHEMBL1903709 0.84 MAPT (0.68) NPSR1MAPK1MAPTMAPK14CNR1
SCHEMBL1903600 0.84 KDM4E (0.60) NPSR1MAPK1MAPTMAPK14CNR1
SCHEMBL6059993 0.82 POLB (0.58) NPSR1MAPK1MAPTMAPK14CNR1
SCHEMBL1897017 0.80 BRAF (0.58) NPSR1MAPK1MAPTMAPK14CNR1
SCHEMBL13200230 0.79 FLT3 (0.57) NPSR1MAPK1MAPTGALR3RAB9A
SCHEMBL4257557 0.78 AAK1 (0.55) NPSR1MAPK1MAPTMAPK14CNR1
SCHEMBL19710265 0.78 ALDH1A1 (0.65) NPSR1MAPK1MAPTALDH1A1CYP3A4
SCHEMBL1898147 0.77 LMNA (0.55) NPSR1MAPK14KDM4EGRNSORT1
SCHEMBL350954 0.76 KDM4E (0.65) MAPTCNR1CNR2ALDH1A1GALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US claimed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2006-12-28 US disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 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-20060293332-A1 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NPSR1 627/4885MAPK1 1592/4885MAPT 4721/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NPSR1 846/4885MAPK1 1940/4885MAPT 4676/4885

“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.