SCHEMBL1380313

SCHEMBL1380313

O=C(NCCN1CCCCC1)c1ccc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TP53 P04637 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NPC1 O15118 1/20 0.50
NTRK1 P04629 1/20 0.47
FLT3 P36888 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
GLA P06280 1/20 0.44
EPHX2 P34913 1/20 0.44
RIPK1 Q13546 1/20 0.44
RIPK3 Q9Y572 1/20 0.44

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
SCHEMBL1380711 0.99 MEN1 (0.51) MAPTTP53MEN1KMT2ANPC1
SCHEMBL1379307 0.93 HPGD (0.47) MAPTTP53MEN1KMT2ANPC1
SCHEMBL1379134 0.92 EPHX2 (0.55) MAPTTP53MEN1KMT2ANPC1
SCHEMBL1378802 0.92 HPGD (0.54) MAPTTP53MEN1KMT2ANPC1
SCHEMBL1382124 0.89 MAPT (0.49) MAPTTP53MEN1KMT2ANPC1
SCHEMBL1377468 0.88 MEN1 (0.54) MAPTTP53MEN1KMT2ANPC1
SCHEMBL2962847 0.88 HPGD (0.47) HPGDL3MBTL1GLAEPHX2
SCHEMBL1378232 0.88 MAPT (0.51) MAPTTP53MEN1KMT2ANPC1
SCHEMBL1379770 0.88 MEN1 (0.60) MAPTTP53MEN1KMT2ANPC1
SCHEMBL1382311 0.88 MEN1 (0.55) MAPTTP53MEN1KMT2ANPC1

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
JP-4769720-B2 2011-09-07 JP claimed
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US claimed
EP-1664021-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
WO-2005021531-A1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2005-03-10 WO claimed
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 MAPT 4641/4885TP53 119/4885MEN1 979/4885

“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.