SCHEMBL1379013

SCHEMBL1379013

O=C(c1ccc2c(c1)ncn2-c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 18/20 0.61
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL1378738 0.88 HPGD (0.52) HPGDRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1382866 0.87 HPGD (0.54) HPGDRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1378737 0.87 HPGD (0.53) HPGDRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1382865 0.87 HPGD (0.55) HPGDRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1381836 0.86 HPGD (0.54) HPGDRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL1381832 0.85 EPHX2 (0.53) HPGDALDH1A1
SCHEMBL1381954 0.84 KMT2A (0.58) HPGDALDH1A1NPC1GAA
SCHEMBL1379340 0.82 RIPK1 (0.54) HPGDNPC1SMN1; SMN2
SCHEMBL1377978 0.81 MAPK1 (0.52) HPGDALDH1A1NPC1SMN1; SMN2GAA
SCHEMBL1379505 0.80 HPGD (0.52) HPGDRAB9AALDH1A1NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4769720-B2 2011-09-07 JP claimed
US-7521448-B2 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-04-21 US 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 1154/4885RAB9A 1163/4885ALDH1A1 430/4885

“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.