SCHEMBL1521783

SCHEMBL1521783

O=[C]c1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LIN28A Q9H9Z2 1/20 0.54
CXCR4 P61073 4/20 0.46
KCNA5 P22460 2/20 0.44
APP P05067 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL21211528 0.87 TDP1 (0.70) TDP1MAPTSMN1; SMN2LIN28ACXCR4
SCHEMBL5590271 0.81 MAPT (0.68) TDP1MAPTSMN1; SMN2LIN28ACXCR4
SCHEMBL11117408 0.81 MAPT (0.68) TDP1MAPTSMN1; SMN2LIN28ACXCR4
SCHEMBL29670844 0.81 MAPT (0.68) TDP1MAPTSMN1; SMN2LIN28ACXCR4
SCHEMBL138261 0.79 SMN1; SMN2 (0.83) TDP1MAPTSMN1; SMN2LIN28ACXCR4
SCHEMBL24337026 0.79 L3MBTL1 (0.62) TDP1MAPTSMN1; SMN2LIN28ACXCR4
SCHEMBL18211842 0.79 NPSR1 (0.63) TDP1MAPTSMN1; SMN2LIN28ACXCR4
SCHEMBL8179855 0.79 TDP1 (0.59) TDP1MAPTSMN1; SMN2LIN28ACXCR4
SCHEMBL18211844 0.78 TDP1 (0.63) TDP1MAPTSMN1; SMN2LIN28ACXCR4
SCHEMBL1548457 0.78 KDM4E (0.55) TDP1MAPTSMN1; SMN2LIN28ACXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-01 US claimed
EP-2314609-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-04-27 EP claimed
JP-4653840-B2 2011-03-16 JP claimed
JP-2009520682-A 2009-05-28 JP claimed
US-20090105152-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US claimed
EP-1963362-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-09-03 EP claimed
WO-2007072997-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 WO claimed
EP-3210998-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP disclosed
US-8404643-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-26 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-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-01 US disclosed
US-7960348-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090093615-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-09 US disclosed
EP-1963362-A1 METASTIN DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-09-03 EP disclosed
WO-2007072997-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 WO disclosed
EP-1581557-A2 METASTIN DERIVATIVES AND THEIR USE Takeda Pharmaceutical Company Limited (JP) 2005-10-05 EP disclosed
US-6800611-B2 ANTICANCER AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-05 US disclosed
WO-2004060264-A2 METASTIN DERIVATIVES AND THEIR USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2004-07-22 WO disclosed
US-20040142875-A1 \"metastin\" is the ligand to a G-protein-coupled orphan receptor known as OT7T175 or AXOR12; prodrug; treating cancer, hydatid mole, invasive mole, miscarriage, fetal hypoplasia, sugar dysbolism, lipid dysbolism or labor induction in a mammal TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-22 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 (5 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-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER KLK3, SHBG, SERPINA3 TDP1 3063/4885MAPT 3788/4885SMN1; SMN2 3156/4885
US-20110212890-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, LHCGR TDP1 4722/4885MAPT 3419/4885SMN1; SMN2 3461/4885
US-20040142875-A1 \"metastin\" is the ligand to a G-protein-coupled orphan receptor known as OT7T175 or AXOR12; prodrug; treating cancer, hydatid mole, invasive mole, miscarriage, fetal hypoplasia, sugar dysbolism, lipid dysbolism or labor induction in a mammal GPR27, GPR132, LPAR3 TDP1 4610/4885MAPT 4166/4885SMN1; SMN2 3702/4885
US-20090093615-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA TDP1 4718/4885MAPT 4178/4885SMN1; SMN2 2775/4885
US-20090105152-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA TDP1 4718/4885MAPT 4178/4885SMN1; SMN2 2775/4885

“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.