SCHEMBL1381709

SCHEMBL1381709

O=C(NCC1CCOCC1)c1ccc2c(c1)ncn2-c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.44
HPGD P15428 4/20 0.44
BRD4 O60885 1/20 0.43
RIPK1 Q13546 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
GLS O94925 1/20 0.42
CXCR3 P49682 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1384218 0.93 HPGD (0.47) KMT2AMEN1NPC1TP53TDP1
SCHEMBL1380259 0.90 KMT2A (0.44) KMT2AMEN1NPC1TP53TDP1
SCHEMBL1378402 0.89 KMT2A (0.46) KMT2AMEN1NPC1TP53TDP1
SCHEMBL1383456 0.89 MAPT (0.57) KMT2AMEN1NPC1TP53MAPT
SCHEMBL5444867 0.87 GLS (0.44) ALDH1A1HPGDBRD4SMN1; SMN2CYP2C9
SCHEMBL1379134 0.85 EPHX2 (0.55) KMT2AMEN1NPC1TP53TDP1
SCHEMBL1379770 0.84 MEN1 (0.60) KMT2AMEN1NPC1TP53TDP1
SCHEMBL1382311 0.83 MEN1 (0.55) KMT2AMEN1NPC1TP53TDP1
SCHEMBL4502222 0.83 MAPT (0.65) KMT2AMEN1NPC1TP53MAPT
SCHEMBL1378432 0.82 KMT2A (0.58) KMT2AMEN1NPC1TP53TDP1

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 KMT2A 518/4885MEN1 979/4885NPC1 1706/4885

“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.