SCHEMBL2724028

SCHEMBL2724028

COC(=O)c1cc(Oc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
XDH P47989 2/20 0.55
SIRT6 Q8N6T7 2/20 0.50
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
AKR1C4 P17516 2/20 0.49
AKR1C1 Q04828 2/20 0.49
FFAR1 O14842 1/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 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
SCHEMBL10784720 0.93 TDP1 (0.70) TDP1XDHSIRT6AKR1C3AKR1C2
SCHEMBL3512673 0.89 TDP1 (0.62) TDP1SIRT6FFAR1SMN1; SMN2MAPT
SCHEMBL21072635 0.89 XDH (0.58) TDP1XDHSIRT6AKR1C3AKR1C2
SCHEMBL10784985 0.89 TDP1 (0.62) TDP1XDHSIRT6AKR1C3AKR1C2
SCHEMBL10784998 0.88 TDP1 (0.59) TDP1XDHSIRT6AKR1C3AKR1C2
SCHEMBL1027039 0.88 TDP1 (0.61) TDP1XDHSIRT6SMN1; SMN2MAPT
SCHEMBL10785510 0.88 TDP1 (0.61) TDP1XDHSIRT6AKR1C3AKR1C2
SCHEMBL2424186 0.88 TDP1 (0.61) TDP1XDHSIRT6SMN1; SMN2MAPT
SCHEMBL17530357 0.88 TDP1 (0.76) TDP1XDHSIRT6SMN1; SMN2MAPT
SCHEMBL1027047 0.87 TDP1 (0.58) TDP1XDHSIRT6AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664388-B2 Substituted amino-quinazolinones, medicaments comprising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-04 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
EP-2635559-A2 NEUROTRYPSIN INHIBITORS Neurotune AG (CH) 2013-09-11 EP disclosed
US-20130150387-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 US disclosed
US-8222264-B2 Substituted amino-quinazolinones, medicaments comprising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-17 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed
US-7816348-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-19 US disclosed
US-7816348-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-19 US disclosed
US-20100249158-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 US disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 US disclosed
WO-2007087717-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-09 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 (4 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-20070219176-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E TDP1 1792/4885XDH 98/4885SIRT6 1121/4885
US-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 TDP1 2913/4885XDH 3587/4885SIRT6 688/4885
US-20100249158-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, PSEN2, ACHE TDP1 1816/4885XDH 103/4885SIRT6 350/4885
US-20130150387-A1 SUBSTITUTED AMINO-QUINAZOLINONES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, PSEN2, ACHE TDP1 1816/4885XDH 103/4885SIRT6 350/4885

“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.