SCHEMBL1648800

SCHEMBL1648800

C1=CC=Cc2ncccc2C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
S100A4 P26447 1/20 0.34
CDC25B P30305 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BLM P54132 2/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 4/20 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
SCHEMBL1648797 1.00 CA12 (0.42) CA12CA1CA2CA9S100A4
SCHEMBL27847095 0.98 CA12 (0.41) CA12CA1CA2CA9S100A4
Iodide SCHEMBL3908349 0.98 CA12 (0.41) CA12CA1CA2CA9S100A4
Iodide SCHEMBL3908355 0.98 CA12 (0.41) CA12CA1CA2CA9S100A4
SCHEMBL3261185 0.82
SCHEMBL4866082 0.81
SCHEMBL21319387 0.75 CDC25B (0.41) CA12CA1CA2CA9S100A4
SCHEMBL7056579 0.75 CDC25B (0.41) CA12CA1CA2CA9S100A4
SCHEMBL7056574 0.75 CDC25B (0.41) CA12CA1CA2CA9S100A4
SCHEMBL23330240 0.73 CA12 (0.44) CA12CA1CA2CA9S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1792605-A1 Use of at least a cationic cyanine derivative for use in hair dyeing, composition containg it process of treating keratinic fibres using the same composition, kit and use thereof L'Oréal (FR) 2007-06-06 EP claimed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US claimed
CN-1845907-A Guanidine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-10-11 CN claimed
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
US-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-24 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
CN-1845907-B Guanidine derivatives ACTELION PHARMACEUTICALS LTD 2010-07-28 CN disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US 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
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO 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

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-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES CACNA1E, CHRM1, CHRM2 CA12 4054/4885CA1 2491/4885CA2 2147/4885
US-20070123510-A1 Guanidine derivatives NPFFR1, NPFFR2, OGFR CA12 4860/4885CA1 4362/4885CA2 3288/4885

“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.