SCHEMBL20529361

SCHEMBL20529361

CC1=NC(=O)c2ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 1/20 0.48
▸ PTPRC P08575 1/20 0.42
▸ BCL2 P10415 2/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ RECQL P46063 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ CASP3 P42574 2/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ TGM2 P21980 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL17141524 0.92 S100A4 (0.48) S100A4PTPRCBCL2MCL1CA1
SCHEMBL18786963 0.80 ESR2 (0.48) CA1CA2CA7CA9ESR1
SCHEMBL17671420 0.79 MAOA (0.48) CA1CA2CA4CA7CA9
SCHEMBL19124739 0.76 S100A4 (0.48) S100A4METAP1TGM2CES1MAPK1
SCHEMBL393320 0.76 BCL2 (0.50) S100A4PTPRCBCL2MCL1CA1
SCHEMBL29775081 0.76 S100A4 (0.48) S100A4PTPRCBCL2MCL1CA1
SCHEMBL29099573 0.76 S100A4 (0.44) S100A4PTPRCBCL2MCL1CA1
Hydrochloric Acid SCHEMBL2097036 0.74 S100A4 (0.47) S100A4PTPRCBCL2MCL1CA1
SCHEMBL4141951 0.74 S100A4 (0.56) S100A4PTPRCBCL2MCL1CA1
SCHEMBL6773808 0.74 S100A4 (0.56) S100A4PTPRCBCL2MCL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LTD (GB) 2025-04-17 — — US disclosed
EP-4466071-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) Redx Pharma Limited (GB) 2024-11-27 — — EP disclosed
CN-118632845-A Modulators of Rho-associated protein kinase (ROCK) 莱德克斯制药有限公司 2024-09-10 — — CN disclosed
WO-2023139379-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE (ROCK) REDX PHARMA PLC (GB) 2023-07-27 — — WO disclosed
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 — — EP disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 — — US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 — — EP disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 — — CN disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 — — 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 (2 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-20250122173-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK1, ROCK2, RHOA S100A4 2299/4885PTPRC 623/4885BCL2 1552/4885
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 S100A4 590/4885PTPRC 1882/4885BCL2 1237/4885

“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.

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