SCHEMBL4082544

SCHEMBL4082544

NC(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
KMT2A Q03164 1/20 0.61
SIGMAR1 Q99720 1/20 0.59
MAPT P10636 2/20 0.57
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.56
FABP3 P05413 1/20 0.55
FABP4 P15090 1/20 0.55
FABP5 Q01469 1/20 0.55
KDM4E B2RXH2 2/20 0.54
ATM Q13315 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
BCAT2 O15382 1/20 0.53

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
SCHEMBL15259585 0.87 KDM4E (0.57) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL28435414 0.86 ALDH1A1 (0.56) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL265014 0.85 ALDH1A1 (0.62) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL34420050 0.85 CA12 (0.64) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL18415557 0.85 ALDH1A1 (0.62) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL5474565 0.85 ALDH1A1 (0.54) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL1385783 0.83 ALDH1A1 (0.61) ALDH1A1MEN1CYP2C9HPGDKMT2A
Hydrochloric Acid SCHEMBL5883332 0.83 ALDH1A1 (0.61) ALDH1A1MEN1CYP2C9HPGDKMT2A
SCHEMBL1567980 0.83 ALDH1A1 (0.61) ALDH1A1MEN1CYP2C9HPGDKMT2A
Hydrochloric Acid SCHEMBL380091 0.83 ALDH1A1 (0.61) ALDH1A1MEN1CYP2C9HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US claimed
EP-1604653-A1 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP claimed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US claimed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US claimed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP claimed
WO-2016014664-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 WO disclosed
CN-101808986-B Imidate compound and use thereof for pest control SUMITOMO CHEMICAL CO 2013-10-02 CN disclosed
CN-101808986-A Imidate compound and use thereof for pest control SUMITOMO CHEMICAL CO 2010-08-18 CN disclosed
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
EP-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 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-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS CAPRIN1, NISCH, RPIA ALDH1A1 2024/4885MEN1 4237/4885CYP2C9 1810/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ALDH1A1 1185/4885MEN1 3760/4885CYP2C9 710/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1245/4885MEN1 3303/4885CYP2C9 616/4885

“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.