SCHEMBL348044

SCHEMBL348044

[CH2]C1=Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP11B2 P19099 2/20 0.40
PTGS2 P35354 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
TRPA1 O75762 1/20 0.39
ACHE P22303 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
CYP2A6 P11509 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
KDM1A O60341 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL10419760 0.78 KDM1A (0.46) MAOBCYP11B2PTGS2CYP11B1GPR84
SCHEMBL7205941 0.74 PTGS2 (0.57) MAOAMAOBCYP11B2PTGS2CYP1A2
SCHEMBL30664496 0.74 PTGS2 (0.57) MAOAMAOBCYP11B2PTGS2CYP1A2
SCHEMBL2627028 0.73 CYP11B2 (0.43) MAOAMAOBCYP11B2PTGS2CYP1A2
SCHEMBL319633 0.72 PTGS2 (0.46) MAOAMAOBCYP11B2PTGS2CYP1A2
SCHEMBL29370486 0.72 PTGS2 (0.46) MAOAMAOBCYP11B2PTGS2CYP1A2
SCHEMBL1577673 0.72 CYP11B2 (0.46) MAOAMAOBCYP11B2PTGS2CYP1A2
SCHEMBL626635 0.72 MAOA (0.44) MAOAMAOBCYP11B2PTGS2CYP1A2
SCHEMBL29172622 0.71 TRPA1 (0.41) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL6911572 0.71 MAOA (0.40) MAOAMAOBCYP11B2PTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101845091-A Metastin derivative and use thereof TAKEDA PHARMACEUTICAL 2010-09-29 CN claimed
CN-114656380-B Method for simply synthesizing allyl thiomethyl ether 南阳师范学院 2023-06-02 CN disclosed
CN-114656380-A Method for simply synthesizing allyl methyl sulfide 南阳师范学院 2022-06-24 CN disclosed
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
CN-102333520-B Prophylactic/therapeutic agent for cancer TAKEDA PHARMACEUTICAL 2013-11-06 CN disclosed
CN-101528772-B Metastin derivatives and uses thereof TAKEDA PHARMACEUTICAL 2013-03-13 CN disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
CN-1972959-A Metastin derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2007-05-30 CN disclosed
EP-1758932-A2 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-20060241051-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
CN-1761680-A Metastin derivative and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-04-19 CN disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 EP disclosed
WO-2004080389-A2 HYDROXYEICOSADIENAMIDE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-09-23 WO disclosed
US-5028603-A Platelet-Activating Factor Antagonist; Useful In Treatment Of Inflammatory Diseases, Allergic Diseases, Asthma, Respiratory System Disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-07-02 US disclosed
EP-0316456-A1 ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-24 EP disclosed
EP-0228192-A2 Renin-inhibitory oligopeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-07-08 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-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF MAOA 3392/4885MAOB 3493/4885CYP11B2 4381/4885

“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.