SCHEMBL946592

SCHEMBL946592

C=CC(=O)Nc1ccccc1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
ALDH1A1 P00352 4/20 0.66
HPGD P15428 3/20 0.66
SMN1; SMN2 Q16637 6/20 0.56
MEN1 O00255 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
BTK Q06187 3/20 0.54
TP53 P04637 1/20 0.52
TNIK Q9UKE5 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
TGM2 P21980 1/20 0.52

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
SCHEMBL2863439 0.86 KDM4E (0.50) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL29367186 0.84 TGM2 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL890714 0.84 TGM2 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL613090 0.82 TGM2 (0.65) KDM4EALDH1A1SMN1; SMN2LMNABTK
SCHEMBL31228347 0.82 TGM2 (0.65) KDM4EALDH1A1SMN1; SMN2LMNABTK
SCHEMBL6377697 0.82 TGM2 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL899121 0.82 TGM2 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL13788849 0.82 KDM4E (0.66) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL5365142 0.81 KDM4E (0.65) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL12172767 0.79 ALDH1A1 (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MEN1

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
WO-2014128206-A1 COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-28 WO disclosed
EP-2769723-A1 Compounds for use in inhibiting HIV capsid assembly Ruprecht-Karls-Universität Heidelberg (DE) 2014-08-27 EP disclosed
US-8188103-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-05-29 US disclosed
EP-1763518-B1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-11 EP disclosed
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS VAN DER AA MARCEL JOZEF MARIA 2011-03-31 US disclosed
US-7875621-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-01-25 US disclosed
US-7875621-B2 Substituted 2-alkyl quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-01-25 US disclosed
US-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer JANSSEN PHARMACEUTICA, NV (BE) 2008-07-24 US disclosed
US-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer JANSSEN PHARMACEUTICA, NV (BE) 2008-07-24 US disclosed
EP-1763518-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-21 EP disclosed
WO-2006003150-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-12 WO disclosed
US-5719151-A PHTHALAZINEDIONE COMPOUND; POLYMERASE INHIBITOR SHALL SYDNEY (GB) 1998-02-17 US disclosed
US-3998951-A Substituted 2-arylquinazolines as fungicides FMC CORPORATION (US) 1976-12-21 US 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-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer PARP1, PARP2, PARP3 KDM4E 3137/4885ALDH1A1 244/4885HPGD 254/4885
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 KDM4E 620/4885ALDH1A1 751/4885HPGD 466/4885

“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.