Sugi Predict

Sugi Predict / Compounds / SCHEMBL1932064

SCHEMBL1932064

SCHEMBL1932064

COC(=O)c1cc(C(=O)c2ncc3ccc(C(=O)OC(C)(C)C)cn23)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.39
▸ MET P08581 1/20 0.38
▸ VCAM1 P19320 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPK1 P28482 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ AR P10275 1/20 0.33

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
SCHEMBL1930721 0.89 SIRT6 (0.42) SIRT6VCAM1TDP1ALDH1A1MAPT
SCHEMBL1931133 0.89 PRMT1 (0.39) SIRT6VCAM1TDP1ALDH1A1MAPT
SCHEMBL1931387 0.87 SIRT6 (0.35) SIRT6METVCAM1TDP1ALDH1A1
SCHEMBL1931377 0.86 SIRT6 (0.41) SIRT6VCAM1TDP1ALDH1A1MAPT
SCHEMBL1931547 0.82 AR (0.41) VCAM1TDP1ALDH1A1MAPTLMNA
SCHEMBL1931407 0.82 MAPT (0.43) SIRT6TDP1ALDH1A1MAPTLMNA
SCHEMBL2710182 0.80 PRMT1 (0.39) TDP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL2710005 0.78 KDM4E (0.39) KMT2APOLBMEN1
SCHEMBL1930877 0.77 PRMT1 (0.41) TDP1ALDH1A1MAPTLMNAKMT2A
SCHEMBL321406 0.76 KDM4E (0.44) ALDH1A1MAPTGAAALKBH5NPSR1

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 4 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-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
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

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-20080108648-A1 Novel imidazo[1,5-a] pyridine derivatives, method for preparing same and pharmaceutical compositions containing same CYP3A5, CYP4B1, CYP3A7 SIRT6 855/4885MET 4315/4885VCAM1 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 486/4885MET 3482/4885VCAM1 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.