SCHEMBL3120739

SCHEMBL3120739

CCCCC(O)(CN1CN=CN1)c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 8/20 0.33
OGG1 O15527 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 5/20 0.31
CYP27B1 O15528 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL3120732 0.79 MEN1 (0.35) MEN1ALDH1A1KMT2ACNR2OGG1
SCHEMBL10332003 0.78 MEN1 (0.34) MEN1ALDH1A1KMT2ACNR2OGG1
SCHEMBL10875973 0.77 TDP1 (0.42) MEN1ALDH1A1KMT2ACNR2CYP3A4
SCHEMBL29101228 0.76 MEN1 (0.35) MEN1ALDH1A1KMT2ACNR2OGG1
SCHEMBL1423791 0.74 CNR2 (0.37) MEN1ALDH1A1KMT2ACNR2OGG1
SCHEMBL1423792 0.74 CYP27B1 (0.38) MEN1ALDH1A1KMT2ACNR2OGG1
Hexaconazole SCHEMBL3224781 0.74 CYP3A4 (0.50) ALDH1A1KMT2ACYP3A4
Hexaconazole SCHEMBL3019086 0.74 CYP3A4 (0.50) ALDH1A1KMT2ACYP3A4
Hexaconazole SCHEMBL21992 0.74 CYP3A4 (0.50) ALDH1A1KMT2ACYP3A4
Hexaconazole SCHEMBL29795747 0.74 CYP3A4 (0.50) ALDH1A1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385926-A Wood preservative BAYER AKTIENGESELLSCHAFT (DE) 1995-01-31 US claimed
US-8603453-B2 Antimicrobial polymeric biguanide and acidic co-polymer composition and method of use ARCH UK BIOCIDES LIMITED (GB) 2013-12-10 US disclosed
US-7851541-B2 Composition and use ARCH UK BIOCIDES LIMITED (GB) 2010-12-14 US disclosed
EP-1635642-B1 ANTIMICROBIAL COMPOSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND USE THEREOF ARCH UK BIOCIDES LTD (GB) 2010-07-07 EP disclosed
EP-1633192-B1 ANTIMICROBIAL COMPOSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND USE THEREOF ARCH UK BIOCIDES LTD (GB) 2010-05-05 EP disclosed
US-20070203285-A1 Composition and use HODGE DAVID J 2007-08-30 US disclosed
US-7226968-B2 Composition and use ARCH UK BIOCIDES LIMITED (GB) 2007-06-05 US disclosed
US-7217759-B2 Composition and use ARCH UK BIOCIDES LIMITED (GB) 2007-05-15 US disclosed
EP-1635642-A1 ANTIMICROBIAL COMPOSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND USE THEREOF Arch UK Biocides Limited (GB) 2006-03-22 EP disclosed
EP-1633192-A1 ANTIMICROBIAL COMPOSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND USE THEREOF Arch UK Biocides Limited (GB) 2006-03-15 EP disclosed
EP-1624755-A1 COMPOSITION COMPRISING AN ACIDIC COPOLYMER AND AN ANTIMICROBIAL AGENT AND USE THEREOF Arch UK Biocides Limited (GB) 2006-02-15 EP disclosed
US-20050013794-A1 Composition and use ARCH UK BIOCIDES LIMITED (GB) 2005-01-20 US disclosed
US-20050014670-A1 Composition and use ARCH UK BIOCIDES 2005-01-20 US disclosed
US-20050009971-A1 Composition and use ARCH UK BIOCIDES 2005-01-13 US disclosed
US-20050008534-A1 Composition and use ARCH UK BIOCIDES 2005-01-13 US disclosed
WO-2004100666-A1 ANTIMICROBIAL COMPOSITION CONTAINING A POLYMERIC BIGUADINE AND A COPOLYMER AND USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed
WO-2004100663-A1 ANTIMICROBIAL COMPOPSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND THEIR USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed
WO-2004100664-A1 COMPOSITION COMPRISING AN ACIDIC COPOLYMER AND AN ANTIMICROBIAL AGENT AND USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed
WO-2004100665-A1 ANTIMICROBIAL COMPOSITION COMPRISING A POLYMERIC BIGUANIDE AND A COPOLYMER AND USE THEREOF ARCH UK BIOCIDES LIMITED (GB) 2004-11-25 WO disclosed
US-5200421-A Synergistic combination of azole fungicide tebuconazole and 3-iodo-2-propargyl N-butylcarbamate BAYER AKTIENGESELLSCHAFT (DE) 1993-04-06 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 (2 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-20050008534-A1 Composition and use TST, TH, ARG1 MEN1 1211/4885ALDH1A1 244/4885KMT2A 2251/4885
US-20050013794-A1 Composition and use H1-0, ARG1, C5 MEN1 929/4885ALDH1A1 3642/4885KMT2A 3138/4885

“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.