SCHEMBL1378802

SCHEMBL1378802

O=C(NCCN1CCCC1)c1ccc2c(c1)ncn2-c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
KCNH2 Q12809 1/20 0.51
MCHR1 Q99705 1/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 2/20 0.51
SLC6A5 Q9Y345 8/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
EPHX2 P34913 2/20 0.50
NPC1 O15118 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL1381407 0.93 CD274 (0.55) HPGDMAPTTP53SLC6A5MEN1
SCHEMBL1380711 0.93 MEN1 (0.51) HPGDMAPTTP53MEN1KMT2A
SCHEMBL1380313 0.92 MAPT (0.50) HPGDMAPTTP53MEN1KMT2A
SCHEMBL1382124 0.91 MAPT (0.49) HPGDMCHR1MAPTTP53MEN1
SCHEMBL1378232 0.89 MAPT (0.51) HPGDMCHR1MAPTTP53MEN1
SCHEMBL1380412 0.88 MEN1 (0.55) HPGDMAPTTP53SLC6A5MEN1
SCHEMBL1379760 0.86 HPGD (0.64) HPGDMAPTTP53MEN1KMT2A
SCHEMBL1379134 0.86 EPHX2 (0.55) HPGDMAPTTP53MEN1KMT2A
SCHEMBL1379307 0.85 HPGD (0.47) HPGDMCHR1MAPTTP53MEN1
SCHEMBL1379018 0.84 MEN1 (0.52) HPGDMAPTTP53MEN1KMT2A

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 HPGD 1154/4885KCNH2 239/4885MCHR1 3883/4885

“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.