SCHEMBL163588

SCHEMBL163588

CC(C)NC(=O)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.61
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGS2 P35354 1/20 0.56
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
MPO P05164 1/20 0.54
CYP3A4 P08684 1/20 0.54
KDM5A P29375 1/20 0.54
BLM P54132 1/20 0.54
GFER P55789 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54

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
SCHEMBL8590217 0.91 MLYCD (0.70) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL8075379 0.87 GFER (0.54) MLYCDALDH1A1LMNACA12CA1
SCHEMBL9425774 0.85 GFER (0.52) MLYCDALDH1A1LMNACA12CA1
SCHEMBL10052242 0.84 MLYCD (0.63) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL24042527 0.83 GFER (0.50) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL13761387 0.83 MLYCD (0.61) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL178370 0.83 MEN1 (0.66) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL13753396 0.83 MLYCD (0.61) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL3440304 0.83 MLYCD (0.61) MLYCDALDH1A1LMNACYP1A2ALOX15
SCHEMBL26885171 0.81 HPGDS (0.50) MLYCDALDH1A1LMNACYP1A2ALOX15

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
WO-2023099554-A1 DERIVATIVES OF NIFUROXAZIDE FOR USE IN THE TREATMENT OF MITOCHONDRIAL DISORDERS AND NEURODEGENERATIVE DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-06-08 WO disclosed
US-11584801-B2 Anti-5T4 antibodies and antibody-drug conjugates BYONDIS B.V. (NL) 2023-02-21 US disclosed
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-19 US disclosed
US-20210388115-A1 SITE-SPECIFIC CONJUGATION OF LINKER DRUGS TO ANTIBODIES AND RESULTING ADCS BYONDIS BV (NL) 2021-12-16 US disclosed
EP-3500574-B1 SECO-CYCLOPROPAPYRROLOINDOLE COMPOUNDS, ANTIBODY-DRUG CONJUGATES THEREOF, AND METHODS OF MAKING AND USE BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
US-20210317231-A1 ANTI-5T4 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES BYONDIS BV (NL) 2021-10-14 US disclosed
WO-2020078905-A1 COMBINATION THERAPY UTILIZING DNA ALKYLATING AGENTS AND ATR INHIBITORS MERCK PATENT GMBH (DE) 2020-04-23 WO disclosed
US-10603387-B2 Duocarmycin ADCs showing improved in vivo antitumor activity SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2020-03-31 US disclosed
US-20180140711-A1 DUOCARMYCIN ADCS SHOWING IMPROVED IN VIVO ANTITUMOR ACTIVITY SYNTHON BIOPHARMACEUTICALS B.V. (NL) 2018-05-24 US disclosed
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 WO disclosed
CN-101230033-A New azabicycloalkane derivatives, preparing method and medicament combination containing the same SERVIER LAB (FR) 2008-07-30 CN disclosed
EP-1720544-B1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2008-03-19 EP disclosed
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. LES LABORATORATIES SERVIER (FR) 2007-08-23 US disclosed
CN-1921848-A Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same SERVIER LAB (FR) 2007-02-28 CN disclosed
EP-1720544-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
WO-2005089747-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-09-29 WO disclosed
US-4626528-A O,O-dialkyl O[p-(N-alkylcarbamoyl)phenyl]phosphorothionates and insecticidal compositions including the same S. C. JOHNSON & SON, INC. (US) 1986-12-02 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 (7 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-20210317231-A1 ANTI-5T4 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES SLC5A7, SLC26A4, FUT4 MLYCD 4102/4885ALDH1A1 867/4885LMNA 4881/4885
US-20070197625-A1 Azabicyclic compounds, a process for their preparation and pharmaceutical compositions containing them. HRH2, HNMT, HRH1 MLYCD 3761/4885ALDH1A1 308/4885LMNA 2552/4885
US-20180140711-A1 DUOCARMYCIN ADCS SHOWING IMPROVED IN VIVO ANTITUMOR ACTIVITY CD38, BRCA1, TP53 MLYCD 1910/4885ALDH1A1 999/4885LMNA 1866/4885
US-20210388115-A1 SITE-SPECIFIC CONJUGATION OF LINKER DRUGS TO ANTIBODIES AND RESULTING ADCS MCL1, CD44, GLS2 MLYCD 859/4885ALDH1A1 433/4885LMNA 4492/4885
US-20220151962-A1 NOVEL INHIBITORS OF HISTONE DEACETYLASE 10 HDAC10, HDAC1, HDAC11 MLYCD 3552/4885ALDH1A1 1112/4885LMNA 4427/4885
US-10603387-B2 Duocarmycin ADCs showing improved in vivo antitumor activity CD38, BRCA1, TP53 MLYCD 1910/4885ALDH1A1 999/4885LMNA 1866/4885
US-11584801-B2 Anti-5T4 antibodies and antibody-drug conjugates SLC5A7, SLC26A4, FUT4 MLYCD 4102/4885ALDH1A1 867/4885LMNA 4881/4885

“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.