SCHEMBL352307

SCHEMBL352307

Clc1cccc2c1OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
AHR P35869 2/20 0.48
P2RX7 Q99572 1/20 0.42
GSK3B P49841 1/20 0.40
MT-CO2 P00403 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 1/20 0.39
EED O75530 1/20 0.38
EPHB4 P54760 2/20 0.37
ALDH2 P05091 1/20 0.36
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
MAP2K4 P45985 1/20 0.36
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL3787577 0.82 ITGB2 (0.50) AHRKDM4ESMN1; SMN2LMNA
SCHEMBL10590722 0.77 ABCG2 (0.50) ABCG2GSK3BPKMTSHREED
SCHEMBL7594061 0.76 ABCG2 (0.55) ABCG2GSK3BPKMTSHREED
SCHEMBL30521296 0.74 ABCG2 (0.52) ABCG2GSK3BPKMTSHRCA2
SCHEMBL1224045 0.74 ABCG2 (0.52) ABCG2GSK3BPKMTSHRCA2
SCHEMBL506350 0.74 EED (0.46) ABCG2P2RX7GSK3BMT-CO2PKM
SCHEMBL8499147 0.73 ABCG2 (0.50) ABCG2GSK3BPKMTSHREED
SCHEMBL17922618 0.73 ABCG2 (0.50) ABCG2GSK3BPKMTSHREED
SCHEMBL263096 0.73 ABCG2 (0.50) ABCG2GSK3BPKMTSHREED
SCHEMBL10589684 0.73 ABCG2 (0.50) ABCG2GSK3BPKMTSHREED

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
EP-3766883-A1 IMIDAXOPYROLONE COMPOUND AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2021-01-20 EP disclosed
WO-2019174576-A1 IMIDAXOPYROLONE COMPOUND AND APPLICATION THEREOF 罗欣药业(上海)有限公司 2019-09-19 WO disclosed
CN-105143206-B Pyrimidine -2,4- diamine derivative for treating cancer 托马斯·黑勒戴药物研究基金会 2019-01-15 CN disclosed
EP-2366704-B1 Inhibitors of serine proteases VERTEX PHARMA (US) 2013-10-23 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2008106058-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO disclosed
EP-1481730-B1 Process for the production of phenolic compounds using zeolite beta of the proton-type, UBE INDUSTRIES (JP) 2008-01-23 EP disclosed
US-7285688-B2 Proton type β zeolite, preparation method thereof and process for preparing phenol compound using the same UBE INDUSTRIES, LTD. (JP) 2007-10-23 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
CN-1572368-A Novel proton type beta zeolite, preparation method thereof and process for preparing phenol compound using the same UBE INDUSTRIES (JP) 2005-02-02 CN disclosed
US-20040242938-A1 Novel proton type beta zeolite, preparation method thereof and process for preparing phenol compound using the same UBE INDUSTRIES, LTD. (JP) 2004-12-02 US disclosed
EP-1481730-A1 New zeolite beta of the proton-type, process for its preparation and production of phenolic compounds using the same Ube Industries, Ltd. (JP) 2004-12-01 EP disclosed
US-5296601-A Reaction of aromatic chloride with carbon monoxide and alcohol NIHON NOHYAKU CO., LTD. (JP) 1994-03-22 US disclosed
EP-0282266-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID AMIDES OR ESTERS NIHON NOHYAKU CO., LTD. (JP) 1992-09-09 EP disclosed
US-5142057-A Reacting an organic chloride with carbon monoxide and amine NIHON NOHYAKU CO., LTD. (JP) 1992-08-25 US disclosed
EP-0282266-A2 Process for producing carboxylic acid amides or esters NIHON NOHYAKU CO., LTD. (JP) 1988-09-14 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 (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-20040242938-A1 Novel proton type beta zeolite, preparation method thereof and process for preparing phenol compound using the same HPD, PAH, TPSD1 ABCG2 1195/4885AHR 186/4885P2RX7 1804/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ABCG2 355/4885AHR 2036/4885P2RX7 2058/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ABCG2 31/4885AHR 83/4885P2RX7 656/4885

“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.