SCHEMBL2094833

SCHEMBL2094833

CCCc1ccccc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.51
DRD2 P14416 4/20 0.51
SLC6A2 P23975 5/20 0.50
AR P10275 1/20 0.46
SLC6A4 P31645 4/20 0.44
GRIN2B Q13224 2/20 0.41
GRIN1 Q05586 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
NISCH Q9Y2I1 1/20 0.41
CYP2D6 P10635 2/20 0.40
KCNH2 Q12809 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PPARG P37231 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL14378257 0.89 SLC6A3 (0.49) SLC6A3DRD2SLC6A2SLC6A4GRIN2B
SCHEMBL19506246 0.87 THRA (0.49) SLC6A3DRD2SLC6A2SLC6A4GRIN2B
SCHEMBL19274260 0.86 THRA (0.51) SLC6A3DRD2SLC6A2SLC6A4PPARG
SCHEMBL1046654 0.84 MAPT (0.48) SLC6A3DRD2SLC6A2ARSLC6A4
SCHEMBL2091568 0.83 SLC6A3 (0.49) SLC6A3DRD2SLC6A2SLC6A4GRIN2B
SCHEMBL14670858 0.82 HTR1A (0.42) SLC6A3DRD2SLC6A2ARSLC6A4
SCHEMBL8506528 0.81 SLC6A3 (0.46) SLC6A3DRD2SLC6A2ARSLC6A4
SCHEMBL23881813 0.81 SLC6A3 (0.48) SLC6A3DRD2SLC6A2SLC6A4GRIN2B
SCHEMBL2090839 0.81 SLC6A3 (0.47) SLC6A3DRD2SLC6A2SLC6A4GRIN2B
SCHEMBL1046199 0.81 SLC6A3 (0.47) SLC6A3DRD2SLC6A2SLC6A4GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219912-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-13 US disclosed
EP-3704118-B1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 EP disclosed
WO-2021236818-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2021-11-25 WO disclosed
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2020-11-05 US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
US-7319163-B2 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2008-01-15 US disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (9 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 SLC6A3 2784/4885DRD2 3737/4885SLC6A2 1917/4885
US-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 SLC6A3 1606/4885DRD2 2796/4885SLC6A2 1813/4885
US-20230219912-A1 HALOGENATED BENZOTHIADIAZINES FOR THE TREATMENT OF CANCER TFAM, NDUFAF1, NDUFV1 SLC6A3 3594/4885DRD2 3475/4885SLC6A2 3801/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 SLC6A3 3737/4885DRD2 409/4885SLC6A2 3591/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 SLC6A3 880/4885DRD2 272/4885SLC6A2 1708/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SLC6A3 2092/4885DRD2 4834/4885SLC6A2 1707/4885
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 SLC6A3 1901/4885DRD2 4680/4885SLC6A2 1494/4885
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 SLC6A3 1901/4885DRD2 4680/4885SLC6A2 1494/4885
US-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 SLC6A3 594/4885DRD2 1113/4885SLC6A2 1029/4885

“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.