SCHEMBL3083572

SCHEMBL3083572

Nc1cc(CNCC(O)CO)ccc1N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 2/20 0.44
GAA P10253 5/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HTT P42858 4/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KEAP1 Q14145 1/20 0.38
CSF1R P07333 1/20 0.37
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL3083568 0.83 HTT (0.51) GAAKDM4ETDP1L3MBTL1POLB
SCHEMBL358763 0.76 S100B (0.59) S100BGAAKDM4ETDP1L3MBTL1
SCHEMBL13148120 0.72 CSF1R (0.73) CSF1R
SCHEMBL23043757 0.71 S100B (0.56) S100BGAAKDM4ETDP1L3MBTL1
SCHEMBL12837764 0.70 ALDH1A1 (0.60) S100BGAAKDM4ETDP1L3MBTL1
SCHEMBL13542495 0.70 ALDH1A1 (0.60) S100BGAAKDM4ETDP1L3MBTL1
SCHEMBL3089875 0.70 CSF1R (0.53) S100BGAAKDM4ETDP1L3MBTL1
SCHEMBL23052827 0.65 ADRB2 (0.46) ALDH1A1LMNASMN1; SMN2DNM1
SCHEMBL8154041 0.65 ALDH1A1 (0.69) S100BGAAKDM4ETDP1L3MBTL1
Hydrochloric Acid SCHEMBL5913362 0.64 ALDH1A1 (0.51) S100BGAAKDM4ETDP1L3MBTL1

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 S100B 1080/4885GAA 4492/4885KDM4E 1464/4885
US-20050004112-A1 C-fms kinase inhibitors FLT3, FGR, FER S100B 1165/4885GAA 4304/4885KDM4E 1258/4885

“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.