SCHEMBL3366634

SCHEMBL3366634

NC(=O)CSCc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
EPHX1 P07099 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
Bromide SCHEMBL6752086 0.98 MEN1 (0.53) MEN1KMT2AEPHX1CA12CA1
SCHEMBL5638963 0.86 CYP1A2 (0.56) MEN1KMT2AEPHX1HTTATM
SCHEMBL31122367 0.82 HTT (0.53) MEN1KMT2AEPHX1HTTATM
SCHEMBL1128514 0.82 HTT (0.53) MEN1KMT2AEPHX1HTTATM
SCHEMBL12689890 0.81 CYP1A2 (0.55) MEN1KMT2AHTTATMCYP1A2
SCHEMBL9456940 0.81 LMNA (0.60) KMT2AEPHX1CA12CA1CA2
SCHEMBL10748357 0.81 HTT (0.49) EPHX1HTTATMCYP1A2LMNA
SCHEMBL1533677 0.78 ALOX5 (0.53) MEN1KMT2ACA2CYP1A2ALDH1A1
SCHEMBL12689913 0.78 CYP1A2 (0.48) MEN1KMT2AHTTATMCYP1A2
SCHEMBL1478837 0.77 MEN1 (0.66) MEN1KMT2ACA12CA1CA2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745456-B2 Synthesis and antimicrobial activity of novel dicationic “reversed amidines” THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-06-29 US disclosed
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' The University of North Carolina at Chapel Hill: 2008-03-06 US disclosed
US-7163955-B2 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-01-16 US disclosed
US-20070010533-A1 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-01-11 US disclosed
US-20060063931-A1 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-23 US disclosed
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 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 (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-20060063931-A1 Compounds, methods and compositions useful for the treatment of bovine viral diarrhea virus (BVDV) infection and hepatitis C virus (HCV) infection OAT, GYS2, HCCS MEN1 4855/4885KMT2A 4802/4885EPHX1 1546/4885
US-20070010533-A1 COMPOUNDS, METHODS AND COMPOSITIONS USEFUL FOR THE TREATMENT OF BOVINE VIRAL DIARRHEA VIRUS (BVDV) INFECTION AND HEPATITIS C VIRUS (HCV) INFECTION OAT, GYS2, HCCS MEN1 4855/4885KMT2A 4802/4885EPHX1 1546/4885
US-20080058372-A1 Synthesis and antimicrobial activity of novel dicationic ''reversed amidines'' TLR7, DHRS9, TLR8 MEN1 2949/4885KMT2A 3769/4885EPHX1 3520/4885

“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.