SCHEMBL2404068

SCHEMBL2404068

CCc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)ccc3OC)[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 4/20 0.55
ALDH1A1 P00352 7/20 0.54
RGS12 O14924 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.52
FPR2 P25090 1/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.50
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50

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
SCHEMBL2403896 0.93 MAPT (0.63) KMT2AMEN1MAPTALDH1A1RGS12
SCHEMBL2405181 0.93 MAPT (0.61) KMT2AMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL2531850 0.91 ALDH1A1 (0.57) KMT2AMEN1MAPTALDH1A1RGS12
SCHEMBL2405915 0.90 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1RGS12
SCHEMBL2407502 0.89 FPR2 (0.52) MAPTALDH1A1SMN1; SMN2POLBFPR2
SCHEMBL2406450 0.88 POLB (0.54) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL2403551 0.87 USP2 (0.57) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL2533330 0.85 MAPT (0.63) KMT2AMAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL2406594 0.85 FPR2 (0.62) MAPTALDH1A1SMN1; SMN2POLBFPR2
SCHEMBL2403437 0.85 MAPT (0.57) MAPTTSHRFPR2

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 9 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-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-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 KMT2A 670/4885MEN1 855/4885MAPT 1255/4885
US-20130012557-A1 Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders CHKB, CHKA, CHAT KMT2A 757/4885MEN1 765/4885MAPT 1122/4885

“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.