SCHEMBL348100

SCHEMBL348100

O=[C]NC1c2ccccc2Oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
ATM Q13315 1/20 0.44
KMT2A Q03164 4/20 0.41
CYP2C9 P11712 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.39
LMNA P02545 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
SCHEMBL68804 0.72 MAOA (0.52) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL7000934 0.72 MAOA (0.52) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL2893619 0.72 KMT2A (0.55) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL2893865 0.69 ATM (0.59) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL4388210 0.69 KMT2A (0.56) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL29365092 0.69 ATM (0.59) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL3236129 0.69 MAOA (0.58) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL30138896 0.68 MAOA (0.52) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL68805 0.68 MAOA (0.52) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL1329351 0.68 MAOA (0.47) MAOAMAOBHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 US disclosed
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-22 US disclosed
EP-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 EP disclosed
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-10 US disclosed
US-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF KYOTO UNIVERSITY (JP) 2011-02-17 US disclosed
US-7625869-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed
EP-2113513-A2 Metastin derivatives and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-11-04 EP disclosed
US-20090215700-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-27 US disclosed
EP-2081955-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-29 EP disclosed
US-20080312155-A1 Metastin Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
WO-2008050897-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF MAOA 3392/4885MAOB 3493/4885HDAC3 2531/4885
US-20090215700-A1 Metastin derivatives and use thereof SHBG, GNRHR, INHA MAOA 3758/4885MAOB 4059/4885HDAC3 2506/4885
US-20080312155-A1 Metastin Derivatives and Use Thereof GNRHR, SHBG, MEN1 MAOA 3413/4885MAOB 3701/4885HDAC3 1872/4885
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER KLK3, SHBG, SERPINA3 MAOA 2516/4885MAOB 2714/4885HDAC3 1637/4885
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA MAOA 3758/4885MAOB 4059/4885HDAC3 2506/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF MAOA 3392/4885MAOB 3493/4885HDAC3 2531/4885
US-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF MEN1, HGF, STMN1 MAOA 4276/4885MAOB 4187/4885HDAC3 1182/4885

“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.