SCHEMBL2460904

SCHEMBL2460904

O=Cc1sccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MGAM O43451 3/20 0.41
GAA P10253 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 1/20 0.40
S100A4 P26447 2/20 0.39
PTPRC P08575 1/20 0.39
ERN1 O75460 1/20 0.39
SOS1 Q07889 1/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR2 Q92731 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
SCHEMBL4555909 0.77 ALDH5A1 (0.43) ALDH1A1TDP1ERN1HSD17B10HPGD
SCHEMBL27851500 0.77 TDP1 (0.50) ALDH1A1TDP1MGAMGAASI
SCHEMBL1287837 0.76 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL30535903 0.76 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL9696347 0.76 PRKDC (0.41) ALDH1A1MEN1RAB9AKMT2ANPC1
SCHEMBL30987815 0.74 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
SCHEMBL29337140 0.74 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
Ammonia Solution, Strong SCHEMBL9060371 0.74 ALDH1A1 (0.71) ALDH1A1TDP1MGAMGAASI
SCHEMBL6210201 0.74 ERN1 (0.58) ALDH1A1TDP1MGAMGAASI
SCHEMBL2463968 0.73 ESR2 (0.59) ALDH1A1TDP1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464646-B1 Thieno(2,3-C) Isoquinolines for use as inhibitors of Parp PELLICCIARI ROBERTO (IT) 2009-09-30 EP claimed
EP-1464646-A1 Thieno(2,3-C) Isoquinolines for use as inhibitors of Parp SMITHKLINE BEECHAM PLC (GB) 2004-10-06 EP claimed
US-20040082789-A1 Thieno[2,3-c]iosquinolines for use as inhibitors of parp MORONI, FLAVIO (IT) 2004-04-29 US claimed
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 ALDH1A1 136/4885TDP1 42/4885MGAM 4211/4885
US-20040082789-A1 Thieno[2,3-c]iosquinolines for use as inhibitors of parp PARP1, PARP2, PARP12 ALDH1A1 1365/4885TDP1 53/4885MGAM 4090/4885
US-20060094746-A1 Thieno[2,3-c] isoquinolines for use as inhibitors of PARP PARP1, PARP2, PARP3 ALDH1A1 136/4885TDP1 42/4885MGAM 4211/4885

“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.