SCHEMBL2463968

SCHEMBL2463968

O=C(O)c1sccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.59
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
EIF4E P06730 10/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
DDX3X O00571 1/20 0.42

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
SCHEMBL1847303 0.78 ESR2 (0.58) ESR2ALDH1A1TDP1LMNAMAPT
SCHEMBL27851500 0.76 TDP1 (0.50) ESR2ALDH1A1TDP1EIF4EMGAM
SCHEMBL30535903 0.75 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL1287837 0.75 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL4439669 0.75 TSHR (0.59) ALDH1A1TDP1EIF4ELMNAMAPT
SCHEMBL7821791 0.75 ESR2 (1.00) ESR2ALDH1A1TDP1MAPTHTT
SCHEMBL31540411 0.73 BCAT2 (0.46) ESR2ALDH1A1LMNA
SCHEMBL4134237 0.73 RORB (0.51) ALDH1A1GAA
SCHEMBL31540417 0.73 BCAT2 (0.46) LMNAMAPTMGAMGAASI
SCHEMBL29120749 0.73 MAPT (0.57) ALDH1A1TDP1EIF4ELMNAMAPT

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
US-20110237617-A1 THIENO[2,3-C] ISOQUINOLINES FOR USE AS INHIBITORS OF PARP PELLICCIARI ROBERTO 2011-09-29 US disclosed
US-20110237617-A1 THIENO[2,3-C] ISOQUINOLINES FOR USE AS INHIBITORS OF PARP PELLICCIARI ROBERTO 2011-09-29 US disclosed
US-20110237617-A1 THIENO[2,3-C] ISOQUINOLINES FOR USE AS INHIBITORS OF PARP PELLICCIARI ROBERTO 2011-09-29 US disclosed
US-7825129-B2 Thieno[2,3-c] isoquinolines for use as inhibitors of PARP PELLICCIARI ROBERTO 2010-11-02 US disclosed
US-7825129-B2 Thieno[2,3-c] isoquinolines for use as inhibitors of PARP PELLICCIARI ROBERTO 2010-11-02 US disclosed
US-7825129-B2 Thieno[2,3-c] isoquinolines for use as inhibitors of PARP PELLICCIARI ROBERTO 2010-11-02 US disclosed
EP-1464646-B1 Thieno(2,3-C) Isoquinolines for use as inhibitors of Parp PELLICCIARI ROBERTO (IT) 2009-09-30 EP disclosed
US-20060094746-A1 Thieno[2,3-c] isoquinolines for use as inhibitors of PARP PELLICCIARI ROBERTO 2006-05-04 US disclosed
US-6989388-B2 Thieno[2,3-c]iosquinolines for use as inhibitors of PARP Pellicciari, Roberto (IT) 2006-01-24 US disclosed
EP-1464646-A1 Thieno(2,3-C) Isoquinolines for use as inhibitors of Parp SMITHKLINE BEECHAM PLC (GB) 2004-10-06 EP disclosed
US-20040082789-A1 Thieno[2,3-c]iosquinolines for use as inhibitors of parp MORONI, FLAVIO (IT) 2004-04-29 US disclosed
EP-1332147-A1 THIENO[2,3-C ISOQUINOLINES FOR USE AS INHIBITORS OF PARP SMITHKLINE BEECHAM PLC (GB) 2003-08-06 EP disclosed
WO-2002036599-A1 THIENO[2,3-C]ISOQUINOLINES FOR USE AS INHIBITORS OF PARP SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-10 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 (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-20110237617-A1 THIENO[2,3-C] ISOQUINOLINES FOR USE AS INHIBITORS OF PARP PARP1, PARP2, PARP3 ESR2 1535/4885ALDH1A1 136/4885TDP1 42/4885
US-20040082789-A1 Thieno[2,3-c]iosquinolines for use as inhibitors of parp PARP1, PARP2, PARP12 ESR2 2179/4885ALDH1A1 1365/4885TDP1 53/4885
US-20060094746-A1 Thieno[2,3-c] isoquinolines for use as inhibitors of PARP PARP1, PARP2, PARP3 ESR2 1535/4885ALDH1A1 136/4885TDP1 42/4885

“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.