SCHEMBL1379658

SCHEMBL1379658

O=C(NC1CCOCC1)c1ccc2c(c1)ncn2-c1cccc(OCCOc2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
TP53 P04637 6/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FGFR1 P11362 3/20 0.45
SRC P12931 3/20 0.45
TTK P33981 1/20 0.45
DGAT2 Q96PD7 1/20 0.44

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
SCHEMBL1378469 0.89 MAPK1 (0.49) HPGDTP53MAPTALDH1A1MAPK1
SCHEMBL1378193 0.83 MAPT (0.58) HPGDTP53MAPTALDH1A1HTT
SCHEMBL1377663 0.82 HPGD (0.69) HPGDTP53MAPTMAPK1SMN1; SMN2
SCHEMBL1379909 0.82 HPGD (0.61) HPGDTP53ALDH1A1MAPK1SMN1; SMN2
SCHEMBL5794913 0.80 FGFR1 (0.61) HPGDTP53MAPK1SMN1; SMN2CYP1A2
SCHEMBL1381221 0.80 HPGD (0.56) HPGDTP53MAPK1SMN1; SMN2KMT2A
SCHEMBL1379900 0.78 KMT2A (0.57) HPGDTP53MAPTMAPK1SMN1; SMN2
SCHEMBL1378814 0.77 L3MBTL1 (0.58) HPGDTP53MAPTALDH1A1MAPK1
SCHEMBL1383456 0.77 MAPT (0.57) HPGDTP53MAPTALDH1A1POLB
SCHEMBL2338568 0.76 HPGD (0.58) HPGDTP53MAPTALDH1A1HTT

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 HPGD 1154/4885TP53 119/4885MAPT 4641/4885

“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.