SCHEMBL913847

SCHEMBL913847

O=Cc1ccc(-c2ccccc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.56
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD5 P21918 1/20 0.54
DRD3 P35462 1/20 0.54
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
CYP2A6 P11509 1/20 0.46
PTGS1 P23219 1/20 0.46
KIF11 P52732 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ERN1 O75460 1/20 0.43
ACMSD Q8TDX5 1/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
GRIA4 P48058 2/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL1666926 0.84 DRD1 (0.60) DRD1DRD2DRD4DRD5DRD3
SCHEMBL29733602 0.82 DRD1 (0.58) DRD1DRD2DRD4DRD5DRD3
SCHEMBL29733609 0.82 DRD1 (0.58) DRD1DRD2DRD4DRD5DRD3
SCHEMBL12856701 0.82 PTPRC (0.56) ALDH1A1MAPTL3MBTL1PTPRCPTPN1
SCHEMBL35966 0.80 ALDH1A1 (0.59) DRD1DRD2DRD4DRD5DRD3
SCHEMBL257774 0.80 MEN1 (0.46) DRD1DRD2DRD4DRD5DRD3
SCHEMBL27882662 0.79 NPSR1 (0.44) ALDH1A1MAPTL3MBTL1PTPRCPTPN1
SCHEMBL8349563 0.79 ALDH1A1 (0.46) DRD1ALDH1A1MAPTL3MBTL1PTPRC
SCHEMBL6226567 0.79 ALDH1A1 (0.49) DRD1DRD2DRD4DRD5DRD3
SCHEMBL31491413 0.79 PTPRC (0.47) ALDH1A1PTPRCPTPN1CYP2A6ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666841-A Indole-tetramic acid compound, preparation and medical application thereof 中国医学科学院药物研究所 2024-09-20 CN disclosed
CN-110366556-A Antimicrobial peptide macrocycles and uses thereof 豪夫迈·罗氏有限公司 2019-10-22 CN disclosed
CN-108350028-A PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII 豪夫迈·罗氏有限公司 2018-07-31 CN disclosed
WO-2017189586-A1 BENZOYLGLYCINE DERIVATIVES AND METHODS OF MAKING AND USING SAME DUKE UNIVERSITY (US) 2017-11-02 WO disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
CN-101413143-B Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST 2013-09-18 CN disclosed
CN-101595084-B Diaryl compositions and methods for modulating kinase cascades KINEX PHARMACEUTICALS LLC US 2013-01-02 CN disclosed
EP-2279177-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2011-02-02 EP disclosed
US-20110021532-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-01-27 US disclosed
US-20050136444-A1 Treating neuropathic pain with neuropeptide FF receptor 2 agonists ACADIA PHARMACEUTICALS INC. 2005-06-23 US disclosed
WO-2005031000-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2005-04-07 WO disclosed
CN-1509274-A Metallo proteinase inhibitors 2004-06-30 CN disclosed
EP-1335899-A2 SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES Actelion Pharmaceuticals Ltd. (CH) 2003-08-20 EP disclosed
EP-1322612-A1 SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002083641-A2 AMINO-AZA-CYCLOHEXANES FOR THE TREATMENT OF MALARIA ACTELION PHARMACEUTICALS LTD. (CH) 2002-10-24 WO disclosed
WO-2002038534-A2 SUBSTITUTED ALKYLDIAMINES AS INHIBITORS OF PLASMEPSIN OR RELATED PROTEASES ACTELION PHARMACEUTICALS LTD (CH) 2002-05-16 WO disclosed
WO-2002024649-A1 SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO disclosed
US-3993683-A ANTITHROMBOTIC, ANTICHOLESTEREMICS, ANTICOAGULANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-11-23 US disclosed
US-3950427-A ANTIINFLAMMATORY, ANTIPYRETIC BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 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 (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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK DRD1 2857/4885DRD2 2415/4885DRD4 3530/4885
US-20110021532-A1 NOVEL SUBSTITUTED HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN DRD1 2647/4885DRD2 3040/4885DRD4 3616/4885

“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.