SCHEMBL1235239

SCHEMBL1235239

CCOc1ccc(CC#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.58
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LTA4H P09960 2/20 0.45
ACACB O00763 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
PARP10 Q53GL7 1/20 0.41
RELA Q04206 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 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
SCHEMBL5154682 0.94 NQO1 (0.52) NQO1GAATSHRTDP1SMN1; SMN2
SCHEMBL5450460 0.89 RELA (0.59) NQO1GAASMN1; SMN2RELA
SCHEMBL5450463 0.89 RELA (0.59) NQO1GAASMN1; SMN2RELA
SCHEMBL7774589 0.84 LMNA (0.49) LTA4HACACBLMNASMN1; SMN2CA12
SCHEMBL1823685 0.84 LTA4H (0.48) TSHRLTA4HSMN1; SMN2
SCHEMBL8538723 0.83 GLA (0.44) NQO1GAATSHRTDP1LMNA
SCHEMBL4112906 0.83 MAPT (0.64) GAATDP1LMNASMN1; SMN2PKM
SCHEMBL17215124 0.83 GAA (0.43) GAALTA4HPKMPRSS1
SCHEMBL6573094 0.81 GAA (0.42) GAATDP1SMN1; SMN2PKM
SCHEMBL28110894 0.81 GAA (0.42) GAATDP1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58131931-A None JP disclosed
CN-116854668-B Phthalazinone compound, pharmaceutical composition and application thereof 中国药科大学 2025-02-07 CN disclosed
CN-114573490-B Diaryl-2H-aziridine compounds, preparation method and application thereof 复旦大学 2024-04-30 CN disclosed
CN-116854668-A Phthalazinone compound, pharmaceutical composition and application thereof 中国药科大学 2023-10-10 CN disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
CN-114573490-A diaryl-2H-aziridines and diaryl aziridines compounds, preparation method and application thereof 复旦大学 2022-06-03 CN disclosed
US-20210323978-A1 ISOTHIAZOLOPYRIMIDINONES, PYRAZOLOPYRIMIDINONES, AND PYRROLOPYRIMIDINONES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2021-10-21 US disclosed
EP-0161921-A2 Improvements relating to pesticides BTG INTERNATIONAL LIMITED (GB) 1985-11-21 EP disclosed
WO-1985004651-A1 IMPROVEMENTS RELATING TO PESTICIDES NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-10-24 WO disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
JP-S58131931-A 2-(4-ETHOXYPHENYL)-2-METHYLPROPYL ALCOHOL AND ITS PREPARATION MITSUI TOATSU CHEM INC 1983-08-06 JP disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed
US-4107189-A 2,3-DIPHENYLACRYLONITRILES, DYNAMIC SCATTERING IN ELECTRICAL FIELD U.S. PHILIPS CORPORATION (US) 1978-08-15 US disclosed
US-3984559-A Compositions comprising tetramic acid analogs of pulvinic acid and methods of combating arthritis SMITHKLINE CORPORATION (US) 1976-10-05 US disclosed
US-3947580-A Anti-arthritic compositions comprising N-heterocyclic pulvinic acid amides and methods of producing anti-arthritic activity SMITHKLINE CORPORATION (US) 1976-03-30 US disclosed
US-3944571-A ANTIARTHRITIC SMITHKLINE CORPORATION (US) 1976-03-16 US disclosed
US-3931207-A ANTIARTHRITIC SMITHKLINE CORPORATION (US) 1976-01-06 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-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 NQO1 531/4885GAA 2713/4885TSHR 4461/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 NQO1 531/4885GAA 2713/4885TSHR 4461/4885
US-20210323978-A1 ISOTHIAZOLOPYRIMIDINONES, PYRAZOLOPYRIMIDINONES, AND PYRROLOPYRIMIDINONES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, USP3, SENP7 NQO1 2420/4885GAA 2423/4885TSHR 2826/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS NQO1 1527/4885GAA 2581/4885TSHR 4307/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS NQO1 1527/4885GAA 2581/4885TSHR 4307/4885

“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.