SCHEMBL5495729

SCHEMBL5495729

C[C@H](N)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
TSHR P16473 3/20 0.46
CYP3A4 P08684 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
VCAM1 P19320 1/20 0.42
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11213892 1.00 CYP19A1 (0.50) CYP19A1TSHRCYP3A4SMN1; SMN2HTT
SCHEMBL7696997 1.00 CYP19A1 (0.50) CYP19A1TSHRCYP3A4SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL7787578 0.98 CYP19A1 (0.48) CYP19A1TSHRCYP3A4SMN1; SMN2HTT
SCHEMBL30202589 0.91 CYP19A1 (0.42) CYP19A1TSHRCYP3A4SMN1; SMN2HTT
SCHEMBL29250827 0.91 CYP19A1 (0.42) CYP19A1TSHRCYP3A4SMN1; SMN2HTT
SCHEMBL29250829 0.91 CYP19A1 (0.42) CYP19A1TSHRCYP3A4SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL29723633 0.89 CYP19A1 (0.41) CYP19A1TSHRCYP3A4SMN1; SMN2HTT
SCHEMBL25456950 0.88 TSHR (0.61) CYP19A1TSHRCYP3A4SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL29723280 0.87 TSHR (0.59) CYP19A1TSHRCYP3A4SMN1; SMN2HTT
SCHEMBL6359586 0.84 TSHR (0.57) TSHRSMN1; SMN2HTTLMNAALDH1A1

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 13 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
US-6334988-B1 HEATING MINERAL ACID SUCH AS HYDROCHLORIC ACID, INORGANIC OXIDE SOURCE SUCH AS TETRAETHOXYSILANE, SURFACTANT SUCH AS CETYLTRIMETHLYAMMONIUM BROMIDE THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2002-01-01 US 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
WO-2000010916-A1 MESOPOROUS SILICATES AND METHOD OF MAKING SAME UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2000-03-02 WO 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 CYP19A1 144/4885TSHR 4044/4885CYP3A4 38/4885
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, WEE1, CYP51A1 CYP19A1 150/4885TSHR 4000/4885CYP3A4 37/4885

“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.