SCHEMBL1932039

SCHEMBL1932039

COC(=O)c1cc(C(=O)Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
VCAM1 P19320 1/20 0.49
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 2/20 0.44
ERN1 O75460 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 1/20 0.43
PELP1 Q8IZL8 1/20 0.43

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
SCHEMBL4753199 0.89 VCAM1 (0.60) SIRT6TDP1VCAM1PDGFRBFGFR1
SCHEMBL30304316 0.88 VCAM1 (0.56) SIRT6TDP1VCAM1LMNAALDH1A1
SCHEMBL11685716 0.88 VCAM1 (0.52) SIRT6TDP1VCAM1PDGFRBFGFR1
SCHEMBL31548461 0.86 CASP6 (0.60) SIRT6TDP1VCAM1LMNAALDH1A1
SCHEMBL2722165 0.86 CASP6 (0.60) SIRT6TDP1VCAM1LMNAALDH1A1
SCHEMBL9244559 0.84 ALDH1A1 (0.53) VCAM1LMNAALDH1A1POLBTSHR
SCHEMBL40265 0.81 TDP1 (0.70) SIRT6TDP1ALDH1A1MAPTTSHR
SCHEMBL31549875 0.81 TDP1 (0.70) SIRT6TDP1ALDH1A1MAPTTSHR
SCHEMBL2711636 0.81 DTYMK (0.58) TDP1VCAM1LMNAALDH1A1POLB
SCHEMBL31548076 0.80 SIRT6 (0.49) SIRT6TDP1VCAM1PDGFRBFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633216-B2 Imidazo[1,5-a]pyridine derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI (FR) 2014-01-21 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed
US-8008321-B2 Imidazo[1,5-a]pyridin-3-yl)(3-methoxy-4-nitrophenyl)methanone; a and b fibroblast growth factor receptors (FGFR) antagonist; anticarcinogenic, antitumor: lung, breast, prostate, melanomas, gliomas; antiinflammatory, vascular smooth muscle cells: atherosclerosis, restenosis, stent and bypass complications SANOFI-AVENTIS (FR) 2011-08-30 US disclosed
US-20110136856-A1 Novel imidazo[1,5-a]pyridine derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2011-06-09 US disclosed
CN-102050821-A Novel imidazo [1,5-a ] pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI AVENTIS 2011-05-11 CN disclosed
US-20080108648-A1 Novel imidazo[1,5-a] pyridine derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-05-08 US disclosed
CN-101160309-A Novel imidazo [1, 5-a ] pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2008-04-09 CN 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 (3 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-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 SIRT6 688/4885TDP1 2913/4885VCAM1 4195/4885
US-20080108648-A1 Novel imidazo[1,5-a] pyridine derivatives, method for preparing same and pharmaceutical compositions containing same CYP3A5, CYP4B1, CYP3A7 SIRT6 855/4885TDP1 3108/4885VCAM1 4738/4885
US-20110136856-A1 Novel imidazo[1,5-a]pyridine derivatives, method for preparing same and pharmaceutical compositions containing same P2RX6, IL5, ATIC SIRT6 486/4885TDP1 2541/4885VCAM1 4719/4885

“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.