SCHEMBL15417588

SCHEMBL15417588

C=Nc1ccc(C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CYP3A4 P08684 2/20 0.50
ADRA2A P08913 1/20 0.50
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HTT P42858 3/20 0.41
GAA P10253 4/20 0.40
THRB P10828 2/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
MPI P34949 1/20 0.40

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
SCHEMBL20258262 0.82 CYP3A4 (0.37) NPC1RAB9ACYP3A4ADRA2ATDP1
SCHEMBL11693234 0.79 NPC1 (0.72) NPC1RAB9ACYP3A4ADRA2ATDP1
SCHEMBL1637262 0.79 RAB9A (0.54) NPC1RAB9ACYP3A4ADRA2ATDP1
SCHEMBL11693231 0.79 NPC1 (0.72) NPC1RAB9ACYP3A4ADRA2ATDP1
SCHEMBL14518104 0.78 NPC1 (0.48) NPC1RAB9ACYP3A4ADRA2ATDP1
SCHEMBL7050721 0.77 NPC1 (0.52) NPC1RAB9ACYP3A4ADRA2ATDP1
SCHEMBL22919543 0.76 SIGMAR1 (0.47) NPC1RAB9ACYP3A4ADRA2AMAPT
SCHEMBL14679678 0.76 ALDH1A1 (0.52) NPC1RAB9ACYP3A4LMNAMAPT
SCHEMBL21872427 0.76 NFE2L2 (0.36) NPC1RAB9ACYP3A4ADRA2ATDP1
SCHEMBL22006154 0.76 CYP3A4 (0.52) NPC1RAB9ACYP3A4ADRA2ATDP1

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
US-20230272275-A1 PHOSPHOROUS HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-08-31 US disclosed
US-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. 2022-12-13 US disclosed
EP-3888691-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2021-10-06 EP disclosed
EP-3636726-B1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-07-14 EP disclosed
US-20200106027-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2020-04-02 US disclosed
WO-2020006722-A1 CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD (CN) 2020-01-09 WO disclosed
US-20190288222-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-09-19 US disclosed
US-20190221758-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-07-18 US disclosed
US-20180182973-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2018-06-28 US disclosed
WO-2018066812-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-04-12 WO disclosed
US-20170158673-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-08 US disclosed
US-9522905-B2 Quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2016-12-20 US disclosed
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
EP-1313435-B2 BLEACHING COMPOSITION FOR DYED KERATINOUS FIBRES ORÉAL L (FR) 2016-08-10 EP disclosed
US-20140080835-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-20 US disclosed
US-8623872-B2 Quinazolinone derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-01-07 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 (6 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-20190288222-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ICOSLG, ELAVL1, SOD1 NPC1 3557/4885RAB9A 1328/4885CYP3A4 1740/4885
US-20230272275-A1 PHOSPHOROUS HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME PPA1, ENPP1, ITPA NPC1 3564/4885RAB9A 2994/4885CYP3A4 4180/4885
US-11527728-B2 Organic electroluminescent compounds and organic electroluminescent device comprising the same VDAC1, VDAC2, VAPA NPC1 3003/4885RAB9A 1034/4885CYP3A4 3298/4885
US-20140080835-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP3, PARP2 NPC1 3239/4885RAB9A 2216/4885CYP3A4 875/4885
US-20200106027-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME VDAC1, VDAC2, VAPA NPC1 3003/4885RAB9A 1034/4885CYP3A4 3298/4885
US-20170158673-A1 QUINAZOLINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP3, PARP2 NPC1 3239/4885RAB9A 2216/4885CYP3A4 875/4885

“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.