SCHEMBL1380451

SCHEMBL1380451

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1cccc(OCCCOc2cccc(Cl)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.51
NPC1 O15118 2/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 6/20 0.47
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
RAB9A P51151 1/20 0.46
PTGER1 P34995 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL1377858 0.97 TP53 (0.51) TP53NPC1KMT2AHTTSMN1; SMN2
SCHEMBL1381479 0.95 HTT (0.51) TP53NPC1KMT2AHTTSMN1; SMN2
SCHEMBL1377244 0.94 HTT (0.56) TP53KMT2AHTTSMN1; SMN2TSHR
SCHEMBL1380833 0.93 TSHR (0.51) TP53NPC1KMT2AHTTSMN1; SMN2
SCHEMBL1380428 0.93 TSHR (0.52) TP53NPC1KMT2AHTTSMN1; SMN2
SCHEMBL1379156 0.93 TSHR (0.52) TP53KMT2AHTTSMN1; SMN2TSHR
SCHEMBL1380576 0.92 TP53 (0.51) TP53KMT2AHTTSMN1; SMN2TSHR
SCHEMBL1379838 0.92 HTT (0.57) TP53KMT2AHTTSMN1; SMN2TSHR
SCHEMBL4512208 0.91 TP53 (0.51) TP53KMT2AHTTSMN1; SMN2TSHR
SCHEMBL1381085 0.90 TSHR (0.53) TP53KMT2AHTTSMN1; SMN2TSHR

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 TP53 119/4885NPC1 1706/4885KMT2A 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.