SCHEMBL4495287

SCHEMBL4495287

O=C(c1ccc2c(c1)ncn2-c1ccccc1OCCOc1ccc(F)cc1)N1CCN(CCO)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.55
ALDH1A1 P00352 2/20 0.46
MGLL Q99685 3/20 0.45
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
KCNA5 P22460 3/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL4487783 0.89 HPGD (0.56) HPGDALDH1A1MGLLRAB9ANPC1
SCHEMBL4495284 0.86 HPGD (0.56) HPGDALDH1A1MGLLRAB9AHTT
SCHEMBL1379732 0.82 HPGD (0.51) HPGDALDH1A1MGLLRAB9ANPC1
SCHEMBL1378210 0.75 HPGD (0.61) HPGDALDH1A1MGLLRAB9ANPC1
SCHEMBL4513274 0.73 HPGD (0.64) HPGDALDH1A1MGLLRAB9ANPC1
SCHEMBL1379505 0.73 HPGD (0.52) HPGDALDH1A1MGLLRAB9ANPC1
SCHEMBL23680652 0.72 HPGD (1.00) HPGDALDH1A1RAB9AHTTNPC1
SCHEMBL1378738 0.71 HPGD (0.52) HPGDALDH1A1RAB9ANPC1
SCHEMBL1380499 0.68 NTRK1 (0.55) HPGDALDH1A1NPC1
SCHEMBL1378425 0.68 KMT2A (0.58) HPGDALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189629-A1 N-substituted benzimidazolyl c-Kit inhibitors OSI PHARMACEUTICALS, INC. 2006-08-24 US 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 430/4885MGLL 4647/4885

“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.