SCHEMBL3084638

SCHEMBL3084638

Cc1cccc(N2CCCCC2)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.49
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 3/20 0.46
CTSB P07858 1/20 0.46
AR P10275 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 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
SCHEMBL9059147 0.84 ALDH1A1 (0.55) ALDH1A1TDP1TSHRLMNAMEN1
SCHEMBL9060134 0.84 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHPGDLMNA
SCHEMBL8589619 0.84 ADRB1 (0.61) ALDH1A1TDP1TSHRCYP1A2CYP2C9
SCHEMBL5776207 0.82 KEAP1 (0.56) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL3541135 0.82 MAPK1 (0.49) ALDH1A1TDP1LMNAMEN1KMT2A
SCHEMBL31321133 0.81 ALDH1A1 (0.51) ALDH1A1TDP1TSHRHPGDLMNA
SCHEMBL28744241 0.80 ALDH1A1 (0.51) ALDH1A1TDP1TSHRHPGDLMNA
SCHEMBL23997432 0.80 MAPT (0.48) ALDH1A1LMNAKMT2AGAACTSB
SCHEMBL30336949 0.80 MAPT (0.48) ALDH1A1LMNAKMT2AGAACTSB
SCHEMBL15256763 0.78 ALDH1A1 (0.49) ALDH1A1TDP1HPGDLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 US disclosed
CN-101466686-A C-FMS kinase inhibitor JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 CN 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
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-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
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
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 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 ALDH1A1 4731/4885TDP1 1739/4885TSHR 904/4885
US-20050004112-A1 C-fms kinase inhibitors FLT3, FGR, FER ALDH1A1 4574/4885TDP1 1596/4885TSHR 809/4885

“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.