SCHEMBL4484306

SCHEMBL4484306

O=C(O)c1ccc(Nc2cccc(F)c2)c([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.76
MAPT P10636 4/20 0.69
HPGD P15428 2/20 0.69
AKR1C4 P17516 4/20 0.65
AKR1C3 P42330 4/20 0.65
AKR1C2 P52895 4/20 0.65
AKR1C1 Q04828 4/20 0.65
AKR1B1 P15121 2/20 0.65
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
AKR1B10 O60218 1/20 0.62
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
POLB P06746 1/20 0.59
AR P10275 1/20 0.59
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 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 0.86 HCAR3 (1.00) HCAR3MAPTHPGDAKR1C4AKR1C3
SCHEMBL20897509 0.85 HCAR3 (0.77) HCAR3MAPTHPGDAKR1C4AKR1C3
SCHEMBL23675146 0.85 HCAR3 (0.76) HCAR3MAPTHPGDAKR1C4AKR1C3
SCHEMBL11528981 0.85 HCAR3 (0.76) HCAR3MAPTHPGDAKR1C4AKR1C3
SCHEMBL2338144 0.85 HCAR3 (0.76) HCAR3MAPTHPGDAKR1C4AKR1C3
SCHEMBL2648562 0.85 HCAR3 (0.76) HCAR3MAPTHPGDAKR1C4AKR1C3
SCHEMBL4491879 0.82 HCAR3 (0.72) HCAR3MAPTHPGDAKR1C4AKR1C3
SCHEMBL16577821 0.81 HCAR3 (0.70) HCAR3MAPTHPGDAKR1C4AKR1C3
SCHEMBL7439285 0.80 AKR1C4 (0.72) HCAR3MAPTHPGDAKR1C4AKR1C3
SCHEMBL4942171 0.79 ALDH1A1 (0.68) HCAR3MAPTAKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485658-B2 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-7485658-B2 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-7485658-B2 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
EP-1664032-B1 N-SUBSTITUTED PYRAZOLYL-AMIDYL-BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARM INC (US) 2008-11-05 EP disclosed
EP-1664032-B1 N-SUBSTITUTED PYRAZOLYL-AMIDYL-BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARM INC (US) 2008-11-05 EP disclosed
US-20080221187-A9 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20080221187-A9 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2008-09-11 US disclosed
US-20080221187-A9 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2008-09-11 US disclosed
CN-1839130-A N-substituted pyrazolyl-amidyl-benzimidazolyl C-KIT inhibitors OSI PHARM INC (US) 2006-09-27 CN disclosed
EP-1664032-A1 N-SUBSTITUTED PYRAZOLYL-AMIDYL-BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
US-20060035951-A1 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors BOLGER JOSHUA 2006-02-16 US disclosed
WO-2005021537-A1 N-SUBSTITUTED PYRAZOLYL-AMIDYL-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 (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-20080221187-A9 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors KIT, TNNI3K, CHUK HCAR3 3693/4885MAPT 4501/4885HPGD 756/4885
US-20060035951-A1 N-substituted pyrazolyl-amidyl-benzimidazolyl c-Kit inhibitors KIT, TNNI3K, CHUK HCAR3 3693/4885MAPT 4501/4885HPGD 756/4885

“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.