SCHEMBL3085532

SCHEMBL3085532

NC(=O)c1ccc(F)cc1N1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
CDC7 O00311 2/20 0.57
CDK9 P50750 1/20 0.57
HTT P42858 2/20 0.56
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 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
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 4/20 0.53
GAA P10253 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
SCHEMBL3825337 0.85 GAA (0.50) NPC1HTTMAPTKDM4EHSD17B10
Bromide SCHEMBL7972748 0.83 KDR (0.47) NPC1CDC7CDK9MAPTKDM4E
SCHEMBL3538450 0.82 NPC1 (0.63) NPC1CDC7CDK9HTTMAPT
Water SCHEMBL21465352 0.81 TP53 (0.51) CDC7CDK9MAPTKDM4EALOX15
SCHEMBL3086459 0.81 NPC1 (0.61) NPC1CDC7CDK9HTTMAPT
SCHEMBL13938561 0.80 NPC1 (0.56) NPC1CDC7CDK9HTTMAPT
SCHEMBL4959047 0.79 CDC7 (0.58) NPC1CDC7CDK9HTTMAPT
SCHEMBL29736502 0.79 CDC7 (0.58) NPC1CDC7CDK9HTTMAPT
SCHEMBL21010779 0.78 IKBKB (0.49) NPC1HTTMAPTKMT2AALDH1A1
SCHEMBL5098523 0.77 NPC1 (0.56) NPC1CDC7CDK9HTTMAPT

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.