SCHEMBL338712

SCHEMBL338712

N#CCc1cccc(-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.73
ENPP2 Q13822 1/20 0.52
AGXT P21549 1/20 0.50
NAAA Q02083 1/20 0.46
FLT3 P36888 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.42
NR4A2 P43354 1/20 0.41
MGLL Q99685 1/20 0.41
DHFR P00374 1/20 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
SCHEMBL30504282 0.96 MMP3 (0.79) MMP3ENPP2AGXTNAAAFLT3
SCHEMBL4001097 0.94 MMP3 (0.82) MMP3ENPP2AGXTNAAAFLT3
SCHEMBL4009763 0.94 MMP3 (0.82) MMP3ENPP2AGXTNAAAFLT3
SCHEMBL4006124 0.91 MMP3 (0.72) MMP3ENPP2KDM4ETDP1PIK3CA
SCHEMBL694705 0.86 MMP3 (0.67) MMP3ENPP2AGXTNAAAFLT3
SCHEMBL8338095 0.85 MMP3 (0.70) MMP3ENPP2FLT3KDM4ETDP1
SCHEMBL18069859 0.85 MMP3 (0.70) MMP3ENPP2AGXTKDM4ETDP1
SCHEMBL17873550 0.85 MMP3 (0.70) MMP3ENPP2KDM4ETDP1LMNA
SCHEMBL4667163 0.85 MMP3 (1.00) MMP3ENPP2KDM4ETDP1PIK3CA
Benzene SCHEMBL5438521 0.84 ENPP2 (0.61) MMP3ENPP2KDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20140294968-A1 POLYACRYLATE-BASED ACTIVE COMPOUND-COMPRISING PARTICLES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US disclosed
EP-2736326-A1 POLYACRYLATE-BASED ACTIVE COMPOUND-COMPRISING PARTICLES Bayer Intellectual Property GmbH (DE) 2014-06-04 EP disclosed
US-20050275341-A1 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2005-12-15 US disclosed
EP-1241943-B1 USE OF POLYSILOXANES CONTAINING QUATERNARY AMINO GROUPS AS FORMULATION AUXILIARY AGENTS, AND AGENTS CONTAINING THE SAME BAYER HEALTHCARE AG (DE) 2005-03-02 EP disclosed
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 WO disclosed
EP-1241943-A1 USE OF POLYSILOXANES CONTAINING QUATERNARY AMINO GROUPS AS FORMULATION AUXILIARY AGENTS, AND AGENTS CONTAINING THE SAME Bayer Aktiengesellschaft (DE) 2002-09-25 EP disclosed
WO-2001035739-A1 USE OF POLYSILOXANES CONTAINING QUATERNARY AMINO GROUPS AS FORMULATION AUXILIARY AGENTS, AND AGENTS CONTAINING THE SAME BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 WO disclosed
CN-1112551-A Benzovlquinoline derivatives BAYER AGROCHEM KK (JP) 1995-11-29 CN disclosed
EP-0669320-A2 Benzoylquinoiline derivatives NIHON BAYER AGROCHEM K.K. (JP) 1995-08-30 EP disclosed
EP-0160182-B1 INSECTICIDAL AQUEOUS-BASED MICRO EMULSION COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1993-03-03 EP disclosed
US-4904695-A BLEND WITH SURFACTANT, ANTIFOAM AGENT, THICKENERS, ANTIFREEZE AGENT AND PRESERVATIVE AMERICAN CYANAMID COMPANY (US) 1990-02-27 US disclosed
EP-0160182-A2 Insecticidal aqueous-based micro emulsion compositions AMERICAN CYANAMID COMPANY (US) 1985-11-06 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 (3 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY MMP3 1135/4885ENPP2 558/4885AGXT 27/4885
US-20050275341-A1 Coumarin compound XPO1, VKORC1, XPO5 MMP3 1440/4885ENPP2 4840/4885AGXT 616/4885
US-20140294968-A1 POLYACRYLATE-BASED ACTIVE COMPOUND-COMPRISING PARTICLES PLOD3, CUTA, NUP205 MMP3 1800/4885ENPP2 1570/4885AGXT 570/4885

“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.