SCHEMBL4654255

SCHEMBL4654255

FC(F)Oc1ccccc1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.48
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SLC22A12 Q96S37 1/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
NR1I2 O75469 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL30041663 0.87 CA1 (0.62) KMT2AHTTALDH1A1L3MBTL1KDM4E
SCHEMBL23813151 0.87 ALDH1A1 (0.48) DRD1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL9527314 0.87 CA1 (0.62) KMT2AHTTALDH1A1L3MBTL1KDM4E
SCHEMBL7782409 0.84 KMT2A (0.53) DRD1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL13361872 0.84 DRD1 (0.43) DRD1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL10908693 0.83 SLC6A2 (0.40) DRD1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL8047355 0.82 ALDH1A1 (0.50) DRD1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL112838 0.82 ALDH1A1 (0.50) DRD1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL1911968 0.82 TSHR (0.43) DRD1KMT2ASMN1; SMN2NR1I2L3MBTL1
SCHEMBL2645277 0.82 DRD1 (0.46) DRD1KMT2ASMN1; SMN2HTTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137545-A TRIAZOLE AGONISTS OF THE APJ RECEPTOR 美国安进公司 2018-06-08 CN disclosed
CN-103508883-B Method for synthesizing roflumilast intermediate CHONGQING SHENGHUAXI PHARMA CO 2015-04-01 CN disclosed
CN-104470925-A Imidazotriazinecarbonitriles useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2015-03-25 CN disclosed
CN-103508883-A Method for synthesizing roflumilast intermediate CHONGQING SHENGHUAXI PHARMA CO 2014-01-15 CN disclosed
EP-1991533-A1 CHEMICAL COMPOUNDS Arrow Therapeutics Limited (GB) 2008-11-19 EP disclosed
US-20080267914-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-10-30 US disclosed
WO-2007042782-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2007-04-19 WO disclosed
EP-0134400-B1 FLUOROALKOXYSUBSTITUTED PYRIDYLMETHYLTHIO-(OR SULFINYL-)BENZIMIDAZOLES HAVING A SECRETOLYTIC ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1993-03-24 EP disclosed
EP-0201575-B1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1992-08-12 EP disclosed
EP-0166287-B1 DIALKOXYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR APPLICATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-08-23 EP disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed
EP-0201575-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1986-11-20 EP disclosed
WO-1986002646-A1 NEW PICOLINE DERIVATIVES, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) 1986-05-09 WO disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 EP disclosed
US-4555518-A ANTIULCER AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1985-11-26 US disclosed
EP-0134400-A2 Fluoroalkoxysubstituted pyridylmethylthio-(or sulfinyl-)benzimidazoles having a secretolytic activity Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-03-20 EP 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 (1 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-20080267914-A1 Chemical Compounds RNASEL, ZC3HAV1L, RNASEH1 DRD1 1350/4885KMT2A 1927/4885SMN1; SMN2 4620/4885

“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.