SCHEMBL4487783

SCHEMBL4487783

O=C(c1ccc2c(c1)ncn2-c1ccc(OCCOc2ccc(F)cc2)cc1)N1CCN(CCO)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.56
ALDH1A1 P00352 3/20 0.56
RAB9A P51151 1/20 0.55
MGLL Q99685 3/20 0.52
NPC1 O15118 1/20 0.51
NTRK1 P04629 1/20 0.46
FLT3 P36888 1/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL1379732 0.92 HPGD (0.51) HPGDALDH1A1RAB9AMGLLNPC1
SCHEMBL4495287 0.89 HPGD (0.55) HPGDALDH1A1RAB9AMGLLNPC1
SCHEMBL1378210 0.86 HPGD (0.61) HPGDALDH1A1RAB9AMGLLNPC1
SCHEMBL4513274 0.84 HPGD (0.64) HPGDALDH1A1RAB9AMGLLNPC1
SCHEMBL1379505 0.83 HPGD (0.52) HPGDALDH1A1RAB9AMGLLNPC1
SCHEMBL1380499 0.79 NTRK1 (0.55) HPGDALDH1A1NPC1NTRK1FLT3
SCHEMBL1378425 0.78 KMT2A (0.58) HPGDALDH1A1NPC1
SCHEMBL1378814 0.77 L3MBTL1 (0.58) HPGDALDH1A1RAB9ANPC1
SCHEMBL1377927 0.76 MEN1 (0.55) HPGDALDH1A1NPC1NTRK1FLT3
SCHEMBL1380132 0.76 MEN1 (0.65) HPGDALDH1A1RAB9ANPC1

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 430/4885RAB9A 1163/4885

“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.