SCHEMBL18985249

SCHEMBL18985249

O=C(O)/C=C/c1cc(-c2ccccc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.53
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
TNKS O95271 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NFKB1 P19838 1/20 0.42
CA4 P22748 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL18985250 1.00 HCAR2 (0.53) HCAR2HDAC6HDAC3TNKSHDAC4
SCHEMBL5204964 0.85 HCAR2 (0.45) HCAR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL5204967 0.85 HCAR2 (0.45) HCAR2ALDH1A1MAPTKMT2AMEN1
SCHEMBL9254956 0.81 HCAR2 (0.49) HCAR2HDAC6HDAC3TNKSHDAC4
SCHEMBL9254963 0.81 HCAR2 (0.49) HCAR2HDAC6HDAC3TNKSHDAC4
SCHEMBL27537157 0.81 HCAR2 (0.41) HCAR2HDAC1KMT2AESR1MAPK1
SCHEMBL13545674 0.79 ALDH1A1 (0.59) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL3615287 0.79 ALDH1A1 (0.59) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL657137 0.76 CYP1A1 (0.60) HDAC6
SCHEMBL380483 0.76 HCAR2 (0.48) HCAR2HDAC6HDAC3TNKSHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF KUNMING INSTITUTE OF ZOOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2025-10-09 US disclosed
EP-4553069-A1 ALPHA,ß-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-05-14 EP disclosed
CN-119790041-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-04-08 CN disclosed
CN-117402123-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-01-16 CN disclosed
CN-112204018-B Acrylic compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2023-08-29 CN disclosed
CN-112204018-A Acrylic acid compounds, preparation method thereof, pharmaceutical composition and application 中国科学院上海药物研究所 2021-01-08 CN disclosed
WO-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO 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-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF DEGS1, ACAD11, HADHA HCAR2 259/4885HDAC6 1485/4885HDAC3 2249/4885

“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.