SCHEMBL4866115

SCHEMBL4866115

O=C(CCl)Nc1ccc2c(c1)CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.64
RAB9A P51151 9/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPK1 P28482 1/20 0.58
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56

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
SCHEMBL20456217 0.97 NPC1 (0.60) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL14706936 0.87 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL14698654 0.84 MAPK1 (0.60) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL7937669 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL29975245 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28366098 0.83 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL14698618 0.83 MAPK1 (0.58) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL14279905 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL6691694 0.81 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13347344 0.81 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611733-B2 Quinazolinone analogs and use of quinazolinone analogs for treating or preventing certain viral infections SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2020-04-07 US disclosed
US-20170144978-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE 2017-05-25 US disclosed
US-20170144978-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE 2017-05-25 US disclosed
US-20170144978-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE 2017-05-25 US disclosed
US-9598402-B2 Quinazolinone analogs and use of quinazolinone analogs for treating or preventing certain viral infections SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
US-9598402-B2 Quinazolinone analogs and use of quinazolinone analogs for treating or preventing certain viral infections SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
US-9598402-B2 Quinazolinone analogs and use of quinazolinone analogs for treating or preventing certain viral infections SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
EP-2744787-B1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS SOUTHERN RES INST (US) 2016-11-02 EP disclosed
EP-2744787-B1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS SOUTHERN RES INST (US) 2016-11-02 EP disclosed
US-20140256753-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-09-11 US disclosed
US-20140256753-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-09-11 US disclosed
EP-2744787-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS Southern Research Institute (US) 2014-06-25 EP disclosed
WO-2013025508-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2013-02-21 WO disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 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 (5 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-20140256753-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS HAVCR2, EIF2AK2, GLS2 NPC1 202/4885RAB9A 428/4885SMN1; SMN2 888/4885
US-20170144978-A1 QUINAZOLINONE ANALOGS AND USE OF QUINAZOLINONE ANALOGS FOR TREATING OR PREVENTING CERTAIN VIRAL INFECTIONS ZC3HAV1, EIF2AK2, GTF3C3 NPC1 178/4885RAB9A 331/4885SMN1; SMN2 1909/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A NPC1 2524/4885RAB9A 1508/4885SMN1; SMN2 2385/4885
US-10611733-B2 Quinazolinone analogs and use of quinazolinone analogs for treating or preventing certain viral infections ZC3HAV1, EIF2AK2, GTF3C3 NPC1 178/4885RAB9A 331/4885SMN1; SMN2 1909/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A NPC1 2349/4885RAB9A 1496/4885SMN1; SMN2 2336/4885

“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.