SCHEMBL5497079

SCHEMBL5497079

C[C@H](N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.56
ALDH1A1 P00352 8/20 0.50
MAPK1 P28482 5/20 0.50
TSHR P16473 3/20 0.50
GPR35 Q9HC97 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
HIF1A Q16665 1/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAPT P10636 5/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.46
CYP3A4 P08684 2/20 0.46

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
SCHEMBL9735630 0.85 PDK1 (0.55) TDP1ALDH1A1MAPK1TSHRGPR35
SCHEMBL18138437 0.84 TDP1 (0.53) TDP1ALDH1A1MAPK1TSHRGPR35
SCHEMBL5222523 0.84 TSHR (0.59) TDP1ALDH1A1TSHRHPGDMAPT
SCHEMBL10662852 0.83 GRM8 (0.52) TDP1ALDH1A1MAPK1TSHRGPR35
SCHEMBL2123108 0.82 ALDH1A1 (0.55) TDP1ALDH1A1MAPK1TSHRGPR35
SCHEMBL29395878 0.82 ALDH1A1 (0.55) TDP1ALDH1A1MAPK1TSHRGPR35
SCHEMBL9398085 0.82 TDP1 (0.56) TDP1ALDH1A1MAPK1TSHRGPR35
SCHEMBL11426135 0.81 TDP1 (0.59) TDP1ALDH1A1MAPK1TSHRGPR35
SCHEMBL888171 0.81 PDK1 (0.41) TDP1ALDH1A1TSHRTP53GRM8
SCHEMBL5997466 0.81 LMNA (0.55) TDP1ALDH1A1MAPK1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310487-B1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI SEIYAKU CO (JP) 2007-01-03 EP disclosed
US-7074837-B2 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-07-11 US disclosed
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. 2005-12-08 US disclosed
US-20040019223-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-29 US disclosed
EP-1310487-A1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-14 EP disclosed
EP-0829473-B1 PROCESSES FOR PREPARING CYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2002-08-07 EP disclosed
EP-1148047-A2 Processes for preparing cyclic compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP disclosed
US-6218548-B1 (TRIARYLMETHYL)AMINOSPIROPYRROLES DAIICHI PAHARMACEUTICAL CO., LTD. (JP) 2001-04-17 US disclosed
US-6013806-A ANTIBACTEIRAL DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-01-11 US disclosed
US-5856518-A Production process of cyclic compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
EP-0829473-A1 PROCESSES FOR PREPARING CYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-18 EP 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-20040019223-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, CYP51A1, WEE1 TDP1 2971/4885ALDH1A1 3657/4885MAPK1 934/4885
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, WEE1, CYP51A1 TDP1 3157/4885ALDH1A1 3827/4885MAPK1 1069/4885

“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.