SCHEMBL1379307

SCHEMBL1379307

O=C(NCCN1CCCCC1)c1ccc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.45
MEN1 O00255 4/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43

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
SCHEMBL1380313 0.93 MAPT (0.50) HPGDALDH1A1KMT2AMAPTTP53
SCHEMBL1381832 0.93 EPHX2 (0.53) HPGDALDH1A1KMT2AMEN1MAPK1
SCHEMBL1380711 0.92 MEN1 (0.51) HPGDALDH1A1KMT2AMAPTTP53
SCHEMBL1379031 0.89 HPGD (0.50) HPGDKMT2AMAPTTP53MEN1
SCHEMBL1381954 0.88 KMT2A (0.58) HPGDALDH1A1KMT2AMEN1NPC1
SCHEMBL1381948 0.87 HPGD (0.60) HPGDKMT2AMAPTTP53MEN1
SCHEMBL1377978 0.86 MAPK1 (0.52) HPGDALDH1A1KMT2ATP53MEN1
SCHEMBL1379134 0.85 EPHX2 (0.55) HPGDALDH1A1KMT2AMAPTTP53
SCHEMBL1379654 0.85 KMT2A (0.57) HPGDKMT2AMAPTTP53MEN1
SCHEMBL1381540 0.85 ALOX5 (0.51) HPGDKMT2AMAPTTP53MEN1

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 1154/4885ALDH1A1 430/4885KMT2A 518/4885

“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.