SCHEMBL2404231

SCHEMBL2404231

Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
MAPT P10636 2/20 0.56
POLB P06746 2/20 0.55
TP53 P04637 4/20 0.54
KMT2A Q03164 2/20 0.53
RXFP1 Q9HBX9 2/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.47
USP2 O75604 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
RAB9A P51151 1/20 0.47
KLF5 Q13887 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2407706 0.94 GAA (0.60) GAAMAPTPOLBTP53KMT2A
SCHEMBL2405203 0.94 GAA (0.57) GAAMAPTPOLBTP53KMT2A
SCHEMBL2404613 0.94 MAPT (0.60) GAAMAPTPOLBTP53KMT2A
SCHEMBL2402371 0.90 MAPT (0.54) GAAMAPTPOLBTP53KMT2A
SCHEMBL2404437 0.90 ALDH1A1 (0.52) GAAMAPTPOLBTP53ALDH1A1
SCHEMBL2407385 0.89 MAPT (0.53) GAAMAPTPOLBTP53KMT2A
SCHEMBL12269738 0.88 GAA (0.52) GAAMAPTPOLBTP53KMT2A
SCHEMBL2404809 0.88 GAA (0.52) GAAMAPTPOLBTP53THRB
SCHEMBL2406612 0.87 MAPT (0.52) GAAMAPTPOLBTP53KMT2A
SCHEMBL2529817 0.87 RXFP1 (0.56) GAAMAPTPOLBTP53KMT2A

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-9381172-B2 Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2016-07-05 US disclosed
US-9381172-B2 Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2016-07-05 US disclosed
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-01-10 US disclosed
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-01-10 US disclosed
US-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CLEM BRIAN 2011-09-01 US disclosed
US-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CLEM BRIAN 2011-09-01 US disclosed
US-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CLEM BRIAN 2011-09-01 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-20110212994-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders CHKB, CHKA, CHAT GAA 717/4885MAPT 1255/4885POLB 1859/4885
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders CHKB, CHKA, CHAT GAA 679/4885MAPT 1122/4885POLB 1624/4885

“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.