SCHEMBL3085534

SCHEMBL3085534

Nc1ccc(F)cc1N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.71
GAA P10253 6/20 0.71
HTT P42858 5/20 0.71
L3MBTL1 Q9Y468 4/20 0.65
MAPT P10636 4/20 0.65
S100B P04271 2/20 0.65
LMNA P02545 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
MAPK1 P28482 2/20 0.65
PKM P14618 1/20 0.65
ALOX15 P16050 1/20 0.65
KEAP1 Q14145 1/20 0.55
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.46
RECQL P46063 2/20 0.45
TDP2 O95551 1/20 0.45
THRB P10828 1/20 0.45
CASP3 P42574 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
SCHEMBL1110600 0.85 ALDH1A1 (0.96) ALDH1A1GAAHTTL3MBTL1MAPT
SCHEMBL3485151 0.85 ALDH1A1 (0.96) ALDH1A1GAAHTTL3MBTL1MAPT
Hydrochloric Acid SCHEMBL23043584 0.83 ALDH1A1 (1.00) ALDH1A1GAAHTTL3MBTL1MAPT
Hydrochloric Acid SCHEMBL29979151 0.83 ALDH1A1 (1.00) ALDH1A1GAAHTTL3MBTL1MAPT
SCHEMBL1136241 0.82 ALDH1A1 (0.93) ALDH1A1GAAHTTL3MBTL1MAPT
SCHEMBL29937765 0.82 ALDH1A1 (0.93) ALDH1A1GAAHTTL3MBTL1MAPT
SCHEMBL18861760 0.81 ALDH1A1 (0.75) ALDH1A1GAAHTTL3MBTL1MAPT
SCHEMBL6100179 0.81 LGMN (0.67) ALDH1A1GAAHTTL3MBTL1MAPT
SCHEMBL28147210 0.80 GAA (0.69) ALDH1A1GAAHTTL3MBTL1MAPT
SCHEMBL5715880 0.80 ALDH1A1 (0.59) ALDH1A1GAAHTTMAPTMEN1

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
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
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
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 US disclosed
US-20050004112-A1 C-fms kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-01-06 US 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 ALDH1A1 4731/4885GAA 4492/4885HTT 2335/4885
US-20050004112-A1 C-fms kinase inhibitors FLT3, FGR, FER ALDH1A1 4574/4885GAA 4304/4885HTT 2398/4885

“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.