SCHEMBL3058558

SCHEMBL3058558

CC(C)NC(=N)NC(=N)NC(C)C

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL10092225 0.89
SCHEMBL230050 0.86 CA12 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL1024573 0.83 NOS3 (0.31)
SCHEMBL14417043 0.81 CRBN (0.36) CA12CA1CA2MMP1MMP2
SCHEMBL13562890 0.79 EPHX1 (0.36)
SCHEMBL18882600 0.79 CA12 (0.34) CA12CA1CA2MMP1MMP2
SCHEMBL17336993 0.79 CRBN (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL3083423 0.79
SCHEMBL19116604 0.79
SCHEMBL3061285 0.79 CA12 (0.34) CA12CA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231394-A1 ANTIMICROBIAL WOUND DRESSING B. BRAUN MELSUNGEN AG (DE) 2013-09-05 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-7789917-B2 Amphoteric stilbene composition HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7537663-B2 Corrosion-inhibiting coating UNIVERSITY OF DAYTON (US) 2009-05-26 US disclosed
US-20080290320-A1 AMPHOTERIC STILBENE COMPOSITION IU KAI KONG 2008-11-27 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
EP-1885938-A1 AMPHOTERIC STILBENE COMPOSITION Hewlett-Packard Development Company, L.P. (US) 2008-02-13 EP disclosed
US-20040016363-A1 CORROSION-INHIBITING COATING VENTURE LENDING & LEASING, IV, INC. 2004-01-29 US disclosed
WO-2004009869-A2 CORROSION-INHIBITING COATING FOR METAL SURFACES UNIVERSITY OF DAYTON (US) 2004-01-29 WO disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
US-20030144361-A1 Antimalarial N,N'-subistituted biguanides derived from hydroxylamines JACOBUS PHARMACEUTICAL CO., INC. 2003-07-31 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
US-6551614-B2 Protecting from malaria without causing testicular atrophy by administering 1-(3-(3,4-dichlorophenoxy)propyloxy)-5-isopropylbiguanide(hemisuccinate) JACOBUS PHARMACEUTICAL CO., INC. 2003-04-22 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 (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-20130231394-A1 ANTIMICROBIAL WOUND DRESSING MGLL, BCL2, ELANE CA12 4637/4885CA1 4861/4885CA2 4348/4885
US-20030144361-A1 Antimalarial N,N'-subistituted biguanides derived from hydroxylamines G6PD, HBG1, BHMT CA12 4429/4885CA1 4013/4885CA2 4321/4885

“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.