SCHEMBL820965

SCHEMBL820965

COC(=O)C(Cc1ccccc1)N=C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.56
ATM Q13315 1/20 0.47
ANPEP P15144 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
GFER P55789 1/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL135996 1.00 MIF (0.56) MIFATMANPEPCYP2C9CYP2C19
SCHEMBL5399978 1.00 MIF (0.56) MIFATMANPEPCYP2C9CYP2C19
SCHEMBL15729872 0.86 LDHA (0.53) MIFALDH1A1PPARGPPARA
SCHEMBL4700347 0.86 MIF (0.54) MIFATMANPEPCYP2C9CYP2C19
SCHEMBL7882113 0.86 MMP8 (0.51) MIFALDH1A1HSD17B10POLBMEN1
SCHEMBL27323338 0.86 MIF (0.62) MIFMEN1KMT2ANPC1RAB9A
SCHEMBL279730 0.86 MMP8 (0.51) MIFALDH1A1HSD17B10POLBMEN1
SCHEMBL27883366 0.85 TSHR (0.48) MIFALDH1A1MEN1KMT2ANPC1
SCHEMBL7266856 0.84 ALDH1A1 (0.46) MIFALDH1A1KMT2ALMNANPC1
SCHEMBL7266845 0.84 ALDH1A1 (0.46) MIFALDH1A1KMT2ALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304516-A Compounds with unconventional chromophores, their preparation and use 四川大学 2022-11-08 CN claimed
CN-115232130-A APN and AKT double-target-point inhibitor and preparation method and application thereof 山东大学 2022-10-25 CN claimed
CN-115304516-B Compounds with unconventional chromophores, their preparation and use 四川大学 2024-04-30 CN disclosed
CN-115232130-B APN and AKT double-target inhibitor and preparation method and application thereof 山东大学 2024-01-12 CN disclosed
CN-115232130-A APN and AKT double-target-point inhibitor and preparation method and application thereof 山东大学 2022-10-25 CN disclosed
CN-107459511-A Ketone compounds of 4 imino group oxazolidine of anti-enteric virus71 (EV71) 2 and its production and use 南开大学 2017-12-12 CN disclosed
CN-103130710-B Anti-enteric virus71 (EV71) hexanolactam aldehyde compound and its production and use NANKAI UNIVERSITY (CN) 2015-12-16 CN disclosed
CN-103145608-B Anti-enteric virus71 (EV71) hexanolactam compounds and its production and use NANKAI UNIVERSITY (CN) 2015-09-02 CN disclosed
CN-103145608-A Anti-enterovirus 71 (EV71) caprolactam compounds, and preparation method and application thereof UNIV NANKAI 2013-06-12 CN disclosed
CN-103130710-A Anti-enterovirus 71 (EV 71) caprolactam aldehyde compound and preparation method and purpose thereof UNIV NANKAI 2013-06-05 CN disclosed
EP-2389399-A2 FUNCTIONALIZED POLYURETHANE RESIN, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF Construction Research & Technology GmbH (DE) 2011-11-30 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 WO disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
US-5492896-A TREATING CYTOMEGALO VIRUS INFECTIONS BAYER AKTIENGESELLSCHAFT (DE) 1996-02-20 US disclosed
EP-0490566-B1 Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents ROHM & HAAS (US) 1994-10-12 EP disclosed
US-5209930-A PREPARATION AND USE OF N-IODOPROPARGYL OXYCARBONYL AMINO ACID ESTERS AND DERIVATIVES AS ANTIMICROBIAL AGENTS ROHM AND HAAS COMPANY (US) 1993-05-11 US disclosed
EP-0490566-A1 Preparation and use of N-iodopropargyl oxycarbonyl amino acid esters and derivatives as antimicrobial agents ROHM AND HAAS COMPANY (US) 1992-06-17 EP disclosed
EP-0207358-A2 Growth-promoting agent BAYER AG (DE) 1987-01-07 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-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 MIF 328/4885ATM 4352/4885ANPEP 1737/4885

“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.