SCHEMBL2086181

SCHEMBL2086181

CC(C)c1ccc(NC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.52
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KIF11 P52732 1/20 0.44
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NFKB1 P19838 1/20 0.41
EGFR P00533 1/20 0.41
MGLL Q99685 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MITF O75030 1/20 0.39

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
Piperazine SCHEMBL27734165 0.89 TYR (0.42) TYRALDH1A1LMNAMAPTGAA
SCHEMBL14204959 0.83 ALDH1A1 (0.46) TYRALDH1A1LMNAKDM4EKIF11
SCHEMBL12392170 0.83 ALDH1A1 (0.46) TYRALDH1A1LMNAMAPTGAA
SCHEMBL6290471 0.81 ALDH1A1 (0.54) TYRALDH1A1LMNAMEN1KMT2A
SCHEMBL469386 0.80 ALDH1A1 (0.72) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL2090911 0.79 TSHR (0.51) ALDH1A1LMNAMAPTGAAHPGD
SCHEMBL10856575 0.78 ALDH1A1 (0.42) TYRALDH1A1LMNAMAPTGAA
SCHEMBL694956 0.78 PTGS2 (0.52) ALDH1A1LMNAKDM4EHPGDNFKB1
SCHEMBL4739960 0.77 TYR (0.41) TYRALDH1A1LMNAMAPTGAA
SCHEMBL2095219 0.75 FADS1 (0.49) TYRALDH1A1MAPTKDM4EKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
EP-0204571-B1 SELECTED DIFLUORO DERIVATIVES ICI AMERICAS INC. (US) 1992-01-22 EP claimed
WO-2022133285-A1 MOLECULES AND METHODS RELATED TO TREATMNET OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2022-06-23 WO disclosed
US-20210380588-A1 Novel Compounds and Uses Thereof OXFORD FINANCE LLC 2021-12-09 US disclosed
US-10954244-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2021-03-23 US disclosed
EP-2478981-B1 SILVER-(CONJUGATED COMPOUND) COMPLEX SUMITOMO CHEMICAL CO (JP) 2020-12-23 EP disclosed
US-20200157106-A1 Novel Compounds and Uses Thereof KALA BIO, Inc. 2020-05-21 US disclosed
US-10544151-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-01-28 US disclosed
US-10351570-B2 Compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2019-07-16 US disclosed
EP-0147379-A1 Making nitrodiarylamines MONSANTO COMPANY (US) 1985-07-03 EP disclosed
US-4248621-A HERBICIDES SANDOZ LTD. (CH) 1981-02-03 US disclosed
US-4228103-A Effecting condensation of nitrohaloarene and formyl derivative of a primary aromatic amine with alkali metal hydroxide MONSANTO COMPANY (US) 1980-10-14 US disclosed
US-4209463-A Promoting the formation of nitrodiarylamines from nitrohaloarenes, activated aryl amines and sodium carbonates MONSANTO COMPANY (US) 1980-06-24 US disclosed
US-4196146-A Making nitrodiarylamines from formyl derivatives of aromatic amines and nitrohaloarenes by admixing with certain aqueous salt solutions MONSANTO COMPANY (US) 1980-04-01 US disclosed
US-4187248-A FORMANILIDE MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-4187249-A COMPOUNDS OF POTASSIUM, CESIUM, OR RUBIDIUM MONSANTO COMPANY (US) 1980-02-05 US disclosed
US-4140716-A Process for making an amide of formic acid and forming nitrodiarylamine therefrom MONSANTO COMPANY (US) 1979-02-20 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-20210380588-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA TYR 146/4885ALDH1A1 1517/4885LMNA 2524/4885
US-20200157106-A1 Novel Compounds and Uses Thereof RB1, VEGFA, UACA TYR 146/4885ALDH1A1 1517/4885LMNA 2524/4885
US-10544151-B2 Compounds and uses thereof RB1, VEGFA, KDR TYR 106/4885ALDH1A1 1409/4885LMNA 2637/4885
US-10954244-B2 Compounds and uses thereof RB1, VEGFA, FLT4 TYR 72/4885ALDH1A1 1477/4885LMNA 2569/4885
US-10351570-B2 Compounds and uses thereof RB1, VEGFA, FLT4 TYR 72/4885ALDH1A1 1477/4885LMNA 2569/4885

“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.