SCHEMBL12671027

SCHEMBL12671027

CC[N+](C)(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.69
MAPK1 P28482 5/20 0.69
THRB P10828 4/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
CYP3A4 P08684 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
MAPT P10636 4/20 0.69
HIF1A Q16665 3/20 0.69
HTT P42858 3/20 0.69
TP53 P04637 3/20 0.69
ALOX12 P18054 2/20 0.69
RECQL P46063 2/20 0.69
BLM P54132 2/20 0.69
CYP2D6 P10635 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
TSHR P16473 2/20 0.69
KDM4E B2RXH2 1/20 0.69
USP2 O75604 1/20 0.69
EGFR P00533 1/20 0.69

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 SCHEMBL25280 0.97 TDP1 (0.70) TDP1MAPK1THRBMEN1KMT2A
Zinc Chloride SCHEMBL29577877 0.94 TDP1 (0.65) TDP1MAPK1THRBMEN1KMT2A
Zinc Chloride SCHEMBL29837408 0.93 TDP1 (0.64) TDP1MAPK1THRBMEN1KMT2A
Hydrochloric Acid SCHEMBL25301058 0.85 TDP1 (0.80) TDP1MAPK1THRBMEN1KMT2A
Zinc Ion SCHEMBL29366028 0.85 TDP1 (0.75) TDP1MAPK1THRBMEN1KMT2A
Hexamethyl Pararosaniline SCHEMBL94116 0.84 TDP1 (0.96) TDP1MAPK1THRBMEN1KMT2A
Hexamethyl Pararosaniline SCHEMBL9171 0.83 TDP1 (1.00) TDP1MAPK1THRBMEN1KMT2A
SCHEMBL889789 0.81 TDP1 (0.44) TDP1MAPK1THRBMEN1KMT2A
SCHEMBL14356079 0.79 MEN1 (0.41) TDP1MAPK1THRBMEN1KMT2A
Hydrochloric Acid SCHEMBL5452767 0.79 TDP1 (0.61) TDP1MAPK1THRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939644-B2 cationic dyes used for coloring plastics, fibers, leather and paper, for the preparation of flexographic printing inks, as ball-point pen pastes, as stamp inks, for use in data acquisition systems, reprography, in ink microfilters, in photogalvanics, laser technology and the photo industry MERCK PATENT GMBH (DE) 2011-05-10 US disclosed
US-7794945-B2 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders ELITECH HOLDING B.V. (NL) 2010-09-14 US disclosed
US-7556923-B1 Hybridization and mismatch discrimination using oligonucleotides conjugated to minor groove binders EPOCH BIOSCIENCES, INC. (US) 2009-07-07 US disclosed
US-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH BIOSCIENCES, INC. (US) 2009-02-19 US disclosed
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes MERCK PATENT GMBH (DE) 2008-11-06 US disclosed
US-20080009060-A1 Methods of discovering chemicals capable of functioning as gene expression modulators FOULKES J G 2008-01-10 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-20090048427-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS DDB1, LIG3, MSH2 TDP1 1394/4885MAPK1 4789/4885THRB 1562/4885
US-20080275224-A1 Cyanoborate, Fluoroalkylphosphate, Fluoroalkylborate or Imide Dyes ZAP70, MYLK3, KIT TDP1 980/4885MAPK1 1205/4885THRB 2374/4885

“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.