SCHEMBL3086459

SCHEMBL3086459

NC(=O)c1ccc(Cl)cc1N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
CDC7 O00311 2/20 0.57
CDK9 P50750 1/20 0.57
HTT P42858 2/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54
GFER P55789 1/20 0.54
YWHAG P61981 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 8/20 0.53
LMNA P02545 2/20 0.53
ROCK2 O75116 1/20 0.52
MAP4K4 O95819 1/20 0.52
CDK2 P24941 1/20 0.52
GSK3B P49841 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52

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
SCHEMBL29736502 0.98 CDC7 (0.58) NPC1CDC7CDK9HTTMEN1
SCHEMBL12505489 0.87 HTT (0.69) NPC1CDC7CDK9HTTMEN1
SCHEMBL12505407 0.87 HTT (0.69) NPC1CDC7CDK9HTTMEN1
SCHEMBL6646300 0.85 MYC (0.55) HTTMEN1KMT2AKDM4EHSD17B10
SCHEMBL12505443 0.85 KDM4E (0.69) NPC1CDC7CDK9HTTMEN1
SCHEMBL28552712 0.83 MYC (0.57) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3538450 0.82 NPC1 (0.63) NPC1CDC7CDK9HTTMEN1
SCHEMBL8261928 0.82 ALDH1A1 (0.54) NPC1CDC7CDK9HTTMEN1
SCHEMBL2557442 0.81 NOTUM (0.59) HTTKMT2AMAPTTHRBLMNA
SCHEMBL3085532 0.81 NPC1 (0.61) NPC1CDC7CDK9HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429603-B2 Such as 5-nitro-furan-2-carboxylic acid (2-piperidin-1-yl-phenyl)-amide; diabetes, angiogenesis, psoriasis, restenosis, schizophrenia, rheumatoid arthritis, cardiovascular disease, cancer 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2008-09-30 US claimed
EP-1631560-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-03-08 EP claimed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004096795-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
EP-2016057-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-21 EP disclosed
US-7429603-B2 Such as 5-nitro-furan-2-carboxylic acid (2-piperidin-1-yl-phenyl)-amide; diabetes, angiogenesis, psoriasis, restenosis, schizophrenia, rheumatoid arthritis, cardiovascular disease, cancer 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
WO-2007123516-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 WO disclosed
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 US disclosed
EP-1631560-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-03-08 EP disclosed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004096795-A2 C-FMS KINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-11-11 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 (2 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-20060258666-A1 c-fms kinase inhibitors FLT3, FES, FER NPC1 4368/4885CDC7 294/4885CDK9 172/4885
US-20050004112-A1 C-fms kinase inhibitors FLT3, FGR, FER NPC1 4334/4885CDC7 304/4885CDK9 154/4885

“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.