SCHEMBL1376941

SCHEMBL1376941

O=C(NCc1cccnc1)c1ccc2c(c1)ncn2-c1ccc(OCCOc2ccc(Cl)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.49
TP53 P04637 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 2/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGER1 P34995 1/20 0.43
DHODH Q02127 1/20 0.43
NAMPT P43490 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
SCHEMBL4494847 0.94 HTT (0.59) HTTSMN1; SMN2TSHRLMNATP53
SCHEMBL1378417 0.90 TSHR (0.52) HTTSMN1; SMN2TSHRLMNATP53
SCHEMBL1380428 0.89 TSHR (0.52) HTTSMN1; SMN2TSHRLMNATP53
SCHEMBL4502038 0.89 TSHR (0.53) HTTSMN1; SMN2TSHRLMNATP53
SCHEMBL1378819 0.89 TSHR (0.56) HTTSMN1; SMN2TSHRLMNATP53
SCHEMBL1378859 0.89 TSHR (0.56) HTTSMN1; SMN2TSHRLMNATP53
SCHEMBL1379838 0.88 HTT (0.57) HTTSMN1; SMN2TSHRLMNATP53
SCHEMBL1379236 0.88 TSHR (0.58) HTTSMN1; SMN2TSHRLMNATP53
SCHEMBL4490530 0.88 TSHR (0.56) HTTSMN1; SMN2TSHRLMNATP53
SCHEMBL1380652 0.87 TSHR (0.52) HTTSMN1; SMN2TSHRLMNATP53

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

“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.