SCHEMBL29400000

SCHEMBL29400000

CCN(CC)CC(=O)OC1CCN(c2ccc(/C=C(\C#N)c3ccc(OC)c(OC)c3)s2)CC1.CS(=O)(=O)O

nearest known ligand 0.63

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.63
▸ ABCG2 Q9UNQ0 1/20 0.63
▸ PDE4B Q07343 2/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ PLEC Q15149 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ UBA2 Q9UBT2 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1956827 0.96 ABCB1 (0.68) ABCB1ABCG2PDE4BKMT2APSMD14
SCHEMBL1956828 0.96 ABCB1 (0.68) ABCB1ABCG2PDE4BKMT2APSMD14
Hydrochloric Acid SCHEMBL1959182 0.95 ABCB1 (0.67) ABCB1ABCG2PDE4BKMT2APSMD14
Hydrochloric Acid SCHEMBL1959181 0.95 ABCB1 (0.67) ABCB1ABCG2PDE4BKMT2APSMD14
SCHEMBL1959468 0.93 ABCB1 (0.58) ABCB1ABCG2PDE4BMAPTPOLB
SCHEMBL1959467 0.93 ABCB1 (0.58) ABCB1ABCG2PDE4BMAPTPOLB
SCHEMBL1958340 0.89 ABCB1 (0.69) ABCB1ABCG2PDE4BKMT2AMAPT
SCHEMBL1958342 0.89 ABCB1 (0.69) ABCB1ABCG2PDE4BKMT2AMAPT
SCHEMBL2813739 0.89 ABCB1 (0.64) ABCB1ABCG2PDE4BKMT2AMAPT
SCHEMBL2813741 0.89 ABCB1 (0.64) ABCB1ABCG2PDE4BKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250152591-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH MENIN INHIBITORS AND P-GLYCOPROTEIN INHIBITORS KURA ONCOLOGY INC (US) 2025-05-15 — — US claimed
EP-4472637-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH MENIN INHIBITORS AND P-GLYCOPROTEIN INHIBITORS Kura Oncology, Inc. (US) 2024-12-11 — — EP claimed
WO-2023150635-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH MENIN INHIBITORS AND P-GLYCOPROTEIN INHIBITORS KURA ONCOLOGY, INC. (US) 2023-08-10 — — WO claimed
CN-115969970-A Combination of an ABCG2 inhibitor and SACITUZUMAB GOVITECAN 免疫医疗公司 2023-04-18 — — CN claimed
EP-4121564-A1 BIOMARKERS FOR SACITUZUMAB GOVITECAN THERAPY Immunomedics, Inc. (US) 2023-01-25 — — EP claimed
US-20220249473-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-08-11 — — US claimed
CN-114096250-A Novel therapy for erythropoietic protoporphyrinopathy (EPP) and X-linked protoporphyrinopathy (XLP) 匹兹堡大学联邦高等教育系统 2022-02-25 — — CN claimed
EP-3226909-B1 QUATERNARY AMINE COMPOUNDS AND ANTIBODY-DRUG CONJUGATES THEREOF GENENTECH INC (US) 2026-04-15 — — EP disclosed
US-12528808-B2 Therapy for erythropoietic protoporphyria (EPP) and X-linked protoporphyria (XLP) UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-01-20 — — US disclosed
WO-2025110250-A1 MODIFIED MFG-E8 PROTEIN 田原 秀晃 2025-05-30 — — WO disclosed
US-20250152591-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH MENIN INHIBITORS AND P-GLYCOPROTEIN INHIBITORS KURA ONCOLOGY INC (US) 2025-05-15 — — US disclosed
CN-114096250-B Therapies for erythropoiesis protoporphyria (EPP) and X-linked protoporphyria (XLP) 匹兹堡大学 联邦高等教育系统 2025-01-14 — — CN disclosed
EP-4472637-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH MENIN INHIBITORS AND P-GLYCOPROTEIN INHIBITORS Kura Oncology, Inc. (US) 2024-12-11 — — EP disclosed
EP-4121564-A1 BIOMARKERS FOR SACITUZUMAB GOVITECAN THERAPY Immunomedics, Inc. (US) 2023-01-25 — — EP disclosed
CN-115398010-A Biomarkers for Goxatuzumab therapy 免疫医疗公司 2022-11-25 — — CN disclosed
US-20220304993-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS ASCENDIS PHARMA A/S (DK) 2022-09-29 — — US disclosed
US-20220249473-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2022-08-11 — — US disclosed
EP-3986471-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS Ascendis Pharma A/S (DK) 2022-04-27 — — EP disclosed
EP-3972605-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) University of Pittsburgh - of the Commonwealth System of Higher Education (US) 2022-03-30 — — EP disclosed
CN-114096250-A Novel therapy for erythropoietic protoporphyrinopathy (EPP) and X-linked protoporphyrinopathy (XLP) 匹兹堡大学联邦高等教育系统 2022-02-25 — — CN 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 (4 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-12528808-B2 Therapy for erythropoietic protoporphyria (EPP) and X-linked protoporphyria (XLP) ABCC3, ABCC2, ABCB7 ABCB1 9/4885ABCG2 19/4885PDE4B 4269/4885
US-20250152591-A1 TREATMENT OF HEMATOLOGICAL MALIGNANCIES WITH MENIN INHIBITORS AND P-GLYCOPROTEIN INHIBITORS MEN1, ABCB1, ABCC1 ABCB1 2/4885ABCG2 127/4885PDE4B 2852/4885
US-20220249473-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) XPA, TPX2, XPOT ABCB1 12/4885ABCG2 69/4885PDE4B 2463/4885
US-20220304993-A1 CONJUGATES OF AN ELECTRON-DONATING NITROGEN OR TERTIARY AMINE COMPRISING COMPOUNDS NQO1, HNMT, PNMT ABCB1 15/4885ABCG2 29/4885PDE4B 2920/4885

“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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