SCHEMBL3636008

SCHEMBL3636008

Nc1ccccc1C(=O)NOCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.65
RAB9A P51151 8/20 0.65
HDAC3 O15379 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGS2 P35354 1/20 0.50
KDM4E B2RXH2 4/20 0.49
EGFR P00533 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL28893760 0.83 NPC1 (0.65) NPC1RAB9AHDAC3ALDH1A1L3MBTL1
SCHEMBL27745804 0.81 NPC1 (0.61) NPC1RAB9APTGS2
SCHEMBL6797269 0.80 NPC1 (0.56) NPC1RAB9AHDAC3NCOR2PTGS2
SCHEMBL7945840 0.80 RAB9A (0.70) NPC1RAB9AALDH1A1HSD17B10CYP3A4
SCHEMBL7954413 0.80 NPC1 (0.59) NPC1RAB9AHDAC3NCOR2TDP1
SCHEMBL1558090 0.79 ALDH1A1 (0.59) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL5120704 0.79 RAB9A (1.00) NPC1RAB9AHDAC3ALDH1A1SMN1; SMN2
SCHEMBL7610748 0.78 NPC1 (0.58) NPC1RAB9AHDAC3L3MBTL1PTGS2
SCHEMBL10785014 0.78 ALDH1A1 (0.49) NPC1RAB9AHDAC3ALDH1A1HPGD
SCHEMBL143432 0.78 ALDH1A1 (0.49) NPC1RAB9AHDAC3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104204136-B Indolo [2,1-a ] quinazoline derivatives for stabilizing organic materials 巴斯夫欧洲公司 2016-12-28 CN disclosed
EP-2828353-B1 ISOINDOLO[2,1-A]QUINAZOLINE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2016-05-18 EP disclosed
EP-2828353-B1 ISOINDOLO[2,1-A]QUINAZOLINE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2016-05-18 EP disclosed
US-9321902-B2 Isoindolo[2, 1-A]quinazoline derivatives for stabilization of organic materials BASF SE (DE) 2016-04-26 US disclosed
US-9321902-B2 Isoindolo[2, 1-A]quinazoline derivatives for stabilization of organic materials BASF SE (DE) 2016-04-26 US disclosed
US-9321902-B2 Isoindolo[2, 1-A]quinazoline derivatives for stabilization of organic materials BASF SE (DE) 2016-04-26 US disclosed
US-20150087755-A1 ISOINDOLO[2, 1-A]QUINAZOLINE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2015-03-26 US disclosed
US-20150087755-A1 ISOINDOLO[2, 1-A]QUINAZOLINE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2015-03-26 US disclosed
US-20150087755-A1 ISOINDOLO[2, 1-A]QUINAZOLINE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2015-03-26 US disclosed
EP-2828353-A1 ISOINDOLO[2,1-A]QUINAZOLINE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2015-01-28 EP disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2010-06-10 US disclosed
EP-2170822-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS Luxembourg Bio Technologies Ltd. (IL) 2010-04-07 EP disclosed
WO-2009138985-A2 COUPLING AGENTS FOR THE SYNTHESIS OF POLYPEPTIDES AND POLYNUCLEOTIDES LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2009-11-19 WO disclosed
WO-2009138985-A2 COUPLING AGENTS FOR THE SYNTHESIS OF POLYPEPTIDES AND POLYNUCLEOTIDES LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2009-11-19 WO disclosed
WO-2008139481-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2008-11-20 WO disclosed
WO-2008139481-A2 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS LUXEMBOURG BIO TECHNOLOGIES LTD. (IL) 2008-11-20 WO disclosed
US-20020082268-A1 Therapeutic compounds for the treatment of asthma and allergy, and methods of use thereof SEPRACOR INC. 2002-06-27 US disclosed
WO-2001070737-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ASTHMA AND ALLERGY AND USE THEREOF SEPRACOR, INC. (US) 2001-09-27 WO disclosed
US-6274383-B1 REACTING AN AMINO BOUND TO A SOLID SUPPORT WITH AN ISATOIC ANHYDRIDE TO FORM A 2-AMINOBENZAMIDE BOUND TO THE SUPPORT, AND THEN REACTING WITH ALDEHYDE USING A LEWIS ACID CATALYST TO FORM A 2,3-DIHYDRO-4(1H)-QUINAZOLINONE BOUND TO SUPPORT SEPRACOR INC. 2001-08-14 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 (3 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-20150087755-A1 ISOINDOLO[2, 1-A]QUINAZOLINE DERIVATIVES FOR STABILIZATION OF ORGANIC MATERIALS SQLE, MYC, CYP4Z1 NPC1 573/4885RAB9A 2760/4885HDAC3 3963/4885
US-20100144588-A1 PROTON ACCEPTOR IMINIUM/CARBOCATION-TYPE COUPLING AGENTS PHAX, GIPR, IAPP NPC1 3699/4885RAB9A 1625/4885HDAC3 4790/4885
US-20020082268-A1 Therapeutic compounds for the treatment of asthma and allergy, and methods of use thereof LTC4S, LTA4H, HRH2 NPC1 2272/4885RAB9A 2823/4885HDAC3 2633/4885

“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.