SCHEMBL4491879

SCHEMBL4491879

CC(=O)Nc1cccc(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.72
MAPT P10636 4/20 0.69
HPGD P15428 2/20 0.69
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
AKR1C4 P17516 4/20 0.63
AKR1C3 P42330 4/20 0.63
AKR1C2 P52895 4/20 0.63
AKR1C1 Q04828 4/20 0.63
AKR1B1 P15121 2/20 0.63
AKR1B10 O60218 1/20 0.63
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
POLB P06746 1/20 0.60
AR P10275 1/20 0.60
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.55

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
SCHEMBL2338616 0.84 HCAR3 (1.00) HCAR3MAPTHPGDKMT2AMEN1
SCHEMBL3613079 0.83 HCAR3 (0.72) HCAR3MAPTKMT2AMEN1
SCHEMBL2648562 0.82 HCAR3 (0.76) HCAR3MAPTHPGDKMT2AMEN1
SCHEMBL11528981 0.82 HCAR3 (0.76) HCAR3MAPTHPGDKMT2AMEN1
SCHEMBL2338144 0.82 HCAR3 (0.76) HCAR3MAPTHPGDKMT2AMEN1
SCHEMBL23675146 0.82 HCAR3 (0.76) HCAR3MAPTHPGDKMT2AMEN1
SCHEMBL4484306 0.82 HCAR3 (0.76) HCAR3MAPTHPGDKMT2AMEN1
SCHEMBL16577821 0.82 HCAR3 (0.70) HCAR3MAPTHPGDKMT2AMEN1
SCHEMBL11341363 0.82 HCAR3 (0.79) HCAR3MAPTHPGDKMT2AMEN1
SCHEMBL8559703 0.81 AKR1B1 (0.70) MAPTHPGDKMT2AMEN1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1664021-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005021531-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 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 (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-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors KIT, CHUK, TNNI3K HCAR3 3220/4885MAPT 4641/4885HPGD 1154/4885

“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.