SCHEMBL4420044

SCHEMBL4420044

[CH2]Cc1ccc(NC(=O)N2C=Cc3ccccc3C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.44
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TAS1R2 Q8TE23 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL28245942 0.74 HDAC3 (0.43) NAMPTTAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL28565829 0.74 SMN1; SMN2 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29510824 0.74 SMN1; SMN2 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7562002 0.74 HDAC3 (0.42) NAMPTTAS1R3TAS1R1TAS1R2NPC1
Hydrochloric Acid SCHEMBL991577 0.73 HDAC3 (0.42) NAMPTTAS1R3TAS1R1TAS1R2SMN1; SMN2
SCHEMBL16268687 0.72 NAMPT (0.47) NAMPTHDAC3
SCHEMBL9380115 0.72 HDAC3 (0.40) ATMALDH1A1SMN1; SMN2HDAC3
SCHEMBL16268685 0.71 P2RX4 (0.50) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL304994 0.71 HDAC3 (0.43) NAMPTTAS1R3TAS1R1TAS1R2NPC1
SCHEMBL29950507 0.71 HDAC3 (0.43) NAMPTTAS1R3TAS1R1TAS1R2NPC1

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 8 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
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO 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 NAMPT 1625/4885TAS1R3 553/4885TAS1R1 745/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK NAMPT 1127/4885TAS1R3 562/4885TAS1R1 795/4885

“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.