SCHEMBL945461

SCHEMBL945461

NC(=O)c1ccccc1NC(=O)CCCCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
KDM4E B2RXH2 5/20 0.54
HDAC3 O15379 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
NCOR2 Q9Y618 1/20 0.53
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL7449850 0.90 KDM4E (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6801558 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AKDM4EHDAC3
SCHEMBL5010196 0.84 CETP (0.63) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL6800486 0.84 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10911824 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5157949 0.83 HDAC3 (0.59) ALDH1A1MEN1KMT2AHDAC3HDAC1
SCHEMBL10913723 0.81 HDAC3 (0.58) ALDH1A1MEN1KMT2AHDAC3HDAC1
SCHEMBL15575684 0.80 L3MBTL1 (0.57) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL29902911 0.80 L3MBTL1 (0.57) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL6797028 0.80 KDM4E (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A

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-2022174085-A1 SMALL MOLECULE INHIBITORS OF PBRM1-BD2 THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2022-08-18 WO 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-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-4585774-A Aniline derivatives and cardiotonic composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
US-4522945-A SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-11 US disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed
US-4335127-A POTENT SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-06-15 US disclosed
EP-0013612-A2 (Piperidinylalkyl)quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-07-23 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-20080176876-A1 Poly(ADP-ribose)polymerase (PARP); ischemia, reperfusion injuries, neurological disorders, neuroprotectants, sensitizer for chemotherapy or radiotherapy, anticancer PARP1, PARP2, PARP3 ALDH1A1 244/4885MEN1 4292/4885KMT2A 1549/4885
US-20110077245-A1 SUBSTITUTED 2-ALKYL QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 751/4885MEN1 2572/4885KMT2A 521/4885

“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.