SCHEMBL530213

SCHEMBL530213

CC(C)Cc1ccc(Cl)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.48
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 1/20 0.36
FAAH O00519 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL22122724 0.85 PNMT (0.46) PNMTPPARGPPARAMAPTMAPK1
SCHEMBL22122819 0.85 PNMT (0.46) PNMTGABRA1GABRB2PPARGPPARA
SCHEMBL22122818 0.85 PNMT (0.46) PNMTGABRA1GABRB2PPARGPPARA
SCHEMBL16649712 0.85 PNMT (0.70) PNMTSLC6A2SLC6A4SLC6A3
SCHEMBL22145308 0.85 PNMT (0.46) PNMTGABRA1GABRB2PPARGPPARA
SCHEMBL6126362 0.84 PNMT (0.48) PNMTGABRA1GABRB2AKR1C2AKR1C1
SCHEMBL24568964 0.83 PNMT (0.44) PNMTPPARGPPARAMAPTMAPK1
SCHEMBL2623873 0.81 GABRA1 (0.48) GABRA1GABRB2AKR1C2PPARGMAPT
SCHEMBL9176216 0.81 GABRA1 (0.48) GABRA1GABRB2AKR1C2PPARGMAPT
SCHEMBL5018935 0.81 PNMT (0.70) PNMTGABRA1GABRB2AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105159-A1 LIGANDS OF THE M6A-RNA READERS UNIVERSITY OF ZURICH (CH) 2024-05-23 WO disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20220204565-A1 Cyclic Peptide Antiviral Agents and Methods Using Same UNIV DREXEL (US) 2022-06-30 US disclosed
US-20220095614-A1 Antibiotic Compounds THE GENERAL HOSPITAL CORPORATION 2022-03-31 US disclosed
US-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-18 US disclosed
US-20200190009-A1 Antibiotic Compounds TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-06-18 US disclosed
US-20190375792-A1 Cyclic Peptide Antiviral Agents and Methods Using Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-12-12 US disclosed
US-20190084988-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2019-03-21 US disclosed
US-20180086767-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2018-03-29 US disclosed
US-20180086767-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2018-03-29 US disclosed
US-9492460-B2 Carbazole compounds useful as bromodomain inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-15 US disclosed
US-20140256700-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-09-11 US disclosed
WO-2012014908-A1 METHOD FOR SYNTHESIZING DIKETOPYRACENE CANON KABUSHIKI KAISHA (JP) 2012-02-02 WO disclosed
US-20110237566-A1 Therapeutic Macrolide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-29 US disclosed
US-20110237566-A1 Therapeutic Macrolide Compounds and Their Use MERLION PHARMACEUTICALS PTE LTD (SG) 2011-09-29 US disclosed
WO-2010107739-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
WO-2010107742-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
WO-2009039246-A2 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION STANFORD UNIVERSITY (US) 2009-03-26 WO disclosed
US-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-01-29 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 (11 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 PNMT 3998/4885GABRA1 1882/4885GABRB2 2786/4885
US-20210047329-A1 SUBSTITUTED 4,6-DIHYDROSPIRO[[1,2,3]TRIAZOLO[4,5-B]PYRIDINE-7,3'-INDOLINE]-2',5(3H)-DIONE ANALOGUES DHPS, QDPR, HTR5A PNMT 371/4885GABRA1 1450/4885GABRB2 1526/4885
US-20190375792-A1 Cyclic Peptide Antiviral Agents and Methods Using Same VIP, CCL5, ZC3HAV1 PNMT 4566/4885GABRA1 4510/4885GABRB2 4737/4885
US-20180086767-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 PNMT 3095/4885GABRA1 3160/4885GABRB2 3492/4885
US-20190084988-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 PNMT 3768/4885GABRA1 2682/4885GABRB2 2703/4885
US-20090030039-A1 Piperidine Derivatives as Cxcr3 Receptor Antagonists CXCR3, CXCR1, CXCR2 PNMT 2288/4885GABRA1 532/4885GABRB2 1159/4885
US-20200190009-A1 Antibiotic Compounds CUTA, NRDC, CLPP PNMT 4038/4885GABRA1 2738/4885GABRB2 2131/4885
US-20220095614-A1 Antibiotic Compounds CUTA, NRDC, CLPP PNMT 4038/4885GABRA1 2738/4885GABRB2 2131/4885
US-20220204565-A1 Cyclic Peptide Antiviral Agents and Methods Using Same ZC3HAV1, VIP, LNPEP PNMT 3782/4885GABRA1 4435/4885GABRB2 4443/4885
US-20140256700-A1 CARBAZOLE COMPOUNDS USEFUL AS BROMODOMAIN INHIBITORS BRD3, BRD4, BRPF3 PNMT 1089/4885GABRA1 1064/4885GABRB2 867/4885
US-20110237566-A1 Therapeutic Macrolide Compounds and Their Use MALT1, HDAC6, BCL6 PNMT 4371/4885GABRA1 4636/4885GABRB2 4509/4885

“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.