SCHEMBL2233522

SCHEMBL2233522

O=C(Nc1ccccc1C(=O)O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
ALDH1A1 P00352 2/20 0.60
CFD P00746 1/20 0.58
POLB P06746 2/20 0.56
CASP3 P42574 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
ABCC1 P33527 2/20 0.54
MGLL Q99685 1/20 0.54
MAOB P27338 1/20 0.53
PLAU P00749 1/20 0.52
PTPN1 P18031 1/20 0.52
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 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
SCHEMBL5055502 0.91 NPC1 (0.58) NPC1RAB9AALDH1A1CFDMGLL
SCHEMBL8115672 0.90 ALDH1A1 (0.63) NPC1RAB9AALDH1A1CFDPOLB
SCHEMBL22497489 0.90 KDM4E (0.61) NPC1RAB9AALDH1A1CFDPOLB
SCHEMBL6190439 0.87 NPC1 (0.66) NPC1RAB9AALDH1A1POLBCASP3
SCHEMBL8894000 0.87 NPC1 (0.58) NPC1RAB9AALDH1A1CFDPOLB
SCHEMBL5055467 0.86 NPC1 (0.57) NPC1RAB9AALDH1A1CFDPOLB
SCHEMBL22497537 0.86 TRPV1 (0.58) NPC1RAB9AALDH1A1POLBMGLL
SCHEMBL10875637 0.86 MGLL (0.55) NPC1RAB9AALDH1A1CFDPOLB
SCHEMBL10874779 0.86 NPC1 (0.68) NPC1RAB9AALDH1A1POLBL3MBTL1
SCHEMBL22497553 0.85 RAB9A (0.52) NPC1RAB9AALDH1A1CFDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4873232-A ARTHRITIS AND AUTOIMMUNE DISEASES SYNTEX (US) 1989-10-10 US claimed
US-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS Prism BioLab Co., Ltd. (JP) 2023-08-24 US disclosed
CN-111763164-A Preparation method and application of ortho-carbonyl amino substituted benzene derivatives 中国医学科学院药物研究所 2020-10-13 CN disclosed
WO-2020199945-A1 ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国医学科学院药物研究所 2020-10-08 WO disclosed
WO-2020199945-A1 ORTHO-CARBONYL AMINO-SUBSTITUTED BENZENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国医学科学院药物研究所 2020-10-08 WO disclosed
US-10254291-B2 Quaternary ammonium containing isobaric tag for quantitative glycan profiling UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2019-04-09 US disclosed
US-10254291-B2 Quaternary ammonium containing isobaric tag for quantitative glycan profiling UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2019-04-09 US disclosed
US-20160252518-A1 QUATERNARY AMINE CONTAINING ISOBARIC TAG FOR QUANTITATIVE GLYCAN PROFILING THE JOHNS HOPKINS UNIVERSITY 2016-09-01 US disclosed
US-20160252518-A1 QUATERNARY AMINE CONTAINING ISOBARIC TAG FOR QUANTITATIVE GLYCAN PROFILING THE JOHNS HOPKINS UNIVERSITY 2016-09-01 US disclosed
US-20160252518-A1 QUATERNARY AMINE CONTAINING ISOBARIC TAG FOR QUANTITATIVE GLYCAN PROFILING THE JOHNS HOPKINS UNIVERSITY 2016-09-01 US disclosed
US-6620782-B1 Substituted 2-aminobenzamide caspase inhibitors and the use thereof CYTOVIA, INC. 2003-09-16 US disclosed
US-6620782-B1 Substituted 2-aminobenzamide caspase inhibitors and the use thereof CYTOVIA, INC. 2003-09-16 US disclosed
US-5945325-A MUTANT ENZYME WITH SPECIFIC AMINO ACID SUBSTITUTIONS ISOLATED FROM LIBRARY; FOR DEBLOCKING, DEPROTECTING BETA-LACTAM ANTIBIOTICS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-08-31 US disclosed
US-5906930-A NUCLEIC ACID CODING FOR MUTANT ENZYME; FOR REMOVAL OF CARBOXY ACID PROTECTING GROUPS DURING SYNTHESIS OF ANTIBIOTICS LIKE LORACARBEF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-05-25 US disclosed
EP-0876490-A1 PARA-NITROBENZYL ESTERASES WITH ENHANCED ACTIVITY IN AQUEOUS AND NONAQUEOUS MEDIA CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-11 EP disclosed
US-5741691-A Para-nitrobenzyl esterases with enhanced activity in aqueous and nonaqueous media CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-04-21 US disclosed
WO-1997027304-A9 PARA-NITROBENZYL ESTERASES WITH ENHANCED ACTIVITY IN AQUEOUS AND NONAQUEOUS MEDIA 1997-10-09 WO disclosed
WO-1997027304-A1 PARA-NITROBENZYL ESTERASES WITH ENHANCED ACTIVITY IN AQUEOUS AND NONAQUEOUS MEDIA CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-07-31 WO disclosed
US-4873232-A ARTHRITIS AND AUTOIMMUNE DISEASES SYNTEX (US) 1989-10-10 US disclosed
EP-0206323-A1 2-Oxy-4H-3,1-benzoxazin-4-one derivatives and related compounds SYNTEX (U.S.A.) INC. (US) 1986-12-30 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 (1 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-20230265104-A1 NOVEL HETEROCYCLIC COMPOUNDS MKI67, CCNI, KRAS NPC1 761/4885RAB9A 688/4885ALDH1A1 345/4885

“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.