SCHEMBL1380428

SCHEMBL1380428

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1ccc(OCCOc2cccc(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
RAB9A P51151 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
SCHEMBL1381479 0.98 HTT (0.51) TSHRHTTSMN1; SMN2TP53TDP1
SCHEMBL1377858 0.95 TP53 (0.51) TSHRHTTSMN1; SMN2TP53TDP1
SCHEMBL4494847 0.93 HTT (0.59) TSHRHTTSMN1; SMN2TP53TDP1
SCHEMBL1380451 0.93 TP53 (0.51) TSHRHTTSMN1; SMN2TP53TDP1
SCHEMBL1379838 0.93 HTT (0.57) TSHRHTTSMN1; SMN2TP53TDP1
SCHEMBL1378859 0.92 TSHR (0.56) TSHRHTTSMN1; SMN2TP53TDP1
SCHEMBL1378819 0.92 TSHR (0.56) TSHRHTTSMN1; SMN2TP53TDP1
SCHEMBL1378446 0.90 GAA (0.55) TSHRTP53TDP1LMNAMAPK1
SCHEMBL1380120 0.90 POLB (0.54) TSHRHTTSMN1; SMN2TP53TDP1
SCHEMBL1377244 0.90 HTT (0.56) TSHRHTTSMN1; SMN2TP53TDP1

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 TSHR 4369/4885HTT 4544/4885SMN1; SMN2 2900/4885

“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.