SCHEMBL4597810

SCHEMBL4597810

O=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.77
ACHE P22303 2/20 0.77
ALDH3A1 P30838 6/20 0.76
CHRM1 P11229 4/20 0.76
ALDH1A1 P00352 4/20 0.76
ALDH2 P05091 1/20 0.76
BCHE P06276 3/20 0.74
CES2 O00748 1/20 0.74
CASP3 P42574 1/20 0.74
CHRM5 P08912 3/20 0.72
CHRM3 P20309 2/20 0.72
APAF1 O14727 1/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPT P10636 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
ALOX12 P18054 1/20 0.67

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
SCHEMBL30774308 1.00 CES1 (0.77) CES1ACHEALDH3A1CHRM1ALDH1A1
SCHEMBL18288159 0.92 CES1 (0.90) CES1ACHEALDH3A1CHRM1ALDH1A1
SCHEMBL29506660 0.86 ALDH1A1 (1.00) CES1ACHEALDH3A1CHRM1ALDH1A1
SCHEMBL2087729 0.86 ALDH1A1 (1.00) CES1ACHEALDH3A1CHRM1ALDH1A1
SCHEMBL18954797 0.86 ALDH1A1 (0.69) CES1ACHEALDH3A1CHRM1ALDH1A1
SCHEMBL13442861 0.85 CASP3 (1.00) CES1ACHEALDH3A1CHRM1ALDH1A1
SCHEMBL3027106 0.85 CES1 (1.00) CES1ACHEALDH3A1CHRM1ALDH1A1
SCHEMBL18974709 0.84 CASP3 (0.57) CES1ACHEALDH3A1CHRM1ALDH1A1
SCHEMBL10960133 0.84 CES1 (0.77) CES1ACHEALDH3A1CHRM1ALDH1A1
SCHEMBL22589515 0.84 CHRM1 (0.77) CES1ACHEALDH3A1CHRM1ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078111-A1 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2026-03-19 US disclosed
EP-4630401-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF Rutgers, the State University of New Jersey (US) 2025-10-15 EP disclosed
WO-2024124023-A2 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-06-13 WO disclosed
US-20220267329-A1 Dihydro-Spiro[Indoline-3:1'-Isoquinolin]-2-Ones and Their Analogues and Derivatives and Methods of Treating Cancer and Other Diseases THE UNIV OF BUEA (CM) 2022-08-25 US disclosed
US-20220071956-A1 COMPOSITION FOR SUPRESSING SECRETION OF EXTRACELLULAR VESICLES NISSAN CHEMICAL CORPORATION (JP) 2022-03-10 US disclosed
WO-2020183307-A1 DIHYDRO-SPIRO[INDOLINE-3:1'-ISOQUINOLIN]-2-ONES AND THEIR ANALOGUES AND DERIVATIVES AND METHODS OF TREATING CANCER AND OTHER DISEASES THE UNIVERSITY OF BUEA (CM) 2020-09-17 WO disclosed
WO-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 WO disclosed
WO-2012049555-A1 SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2012-04-19 WO disclosed
EP-1877378-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-01-16 EP disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 US disclosed
WO-2006113864-A2 OXINDOLE COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-10-26 WO disclosed
US-20020028936-A1 1,3-disubstituted indolin-2-ones for neoplasia OSI PHARMACEUTICALS, INC. 2002-03-07 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 (5 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-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 CES1 4183/4885ACHE 270/4885ALDH3A1 1159/4885
US-20020028936-A1 1,3-disubstituted indolin-2-ones for neoplasia TP53, MYC, VHL CES1 2936/4885ACHE 4845/4885ALDH3A1 561/4885
US-20220071956-A1 COMPOSITION FOR SUPRESSING SECRETION OF EXTRACELLULAR VESICLES EXOSC9, EXOSC10, EXOSC5 CES1 1033/4885ACHE 3219/4885ALDH3A1 4167/4885
US-20220267329-A1 Dihydro-Spiro[Indoline-3:1'-Isoquinolin]-2-Ones and Their Analogues and Derivatives and Methods of Treating Cancer and Other Diseases S1PR3, S1PR1, S1PR2 CES1 2269/4885ACHE 4096/4885ALDH3A1 796/4885
US-20260078111-A1 CARBONIC ANHYDRASE ENZYME INHIBITORS AND METHODS OF USE THEREOF CA6, CA9, CA7 CES1 12/4885ACHE 1545/4885ALDH3A1 58/4885

“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.