SCHEMBL2532370

SCHEMBL2532370

CCSc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.49
LMNA P02545 2/20 0.48
THRB P10828 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ADRB2 P07550 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.45
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL2404478 0.90 THRB (0.59) CHKALMNATHRBALDH1A1MAPT
SCHEMBL2404607 0.88 ESR2 (0.53) CHKALMNATHRBALDH1A1KMT2A
SCHEMBL2405645 0.88 THRB (0.51) CHKALMNATHRBALDH1A1MAPT
SCHEMBL2405644 0.88 THRB (0.51) CHKALMNATHRBALDH1A1MAPT
SCHEMBL12241614 0.87 THRB (0.51) CHKALMNATHRBALDH1A1MAPT
SCHEMBL2405599 0.87 LMNA (0.50) CHKALMNATHRBALDH1A1MAPT
SCHEMBL2406586 0.86 CHKA (0.48) CHKALMNATHRBALDH1A1MAPT
SCHEMBL2534523 0.85 CHKA (0.68) CHKALMNATHRBALDH1A1MAPT
SCHEMBL2403608 0.85 TP53 (0.55) CHKALMNATHRBALDH1A1MAPT
SCHEMBL2533819 0.84 CHKA (0.58) CHKALMNATHRBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US claimed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US disclosed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 US disclosed
US-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-10-20 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 (1 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-20110257211-A1 Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics CHKA, CHKB, CEPT1 CHKA 1/4885LMNA 2890/4885THRB 1952/4885

“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.