SCHEMBL2531967

SCHEMBL2531967

CCCOc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.58
TP53 P04637 3/20 0.48
MAPT P10636 6/20 0.48
POLB P06746 3/20 0.46
FPR2 P25090 2/20 0.46
FPR1 P21462 1/20 0.46
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2534636 0.92 CHKA (0.68) CHKATP53MAPTPOLBGLA
SCHEMBL2404836 0.91 CHKA (0.57) CHKATP53MAPTPOLBFPR2
SCHEMBL2535284 0.89 CHKA (0.58) CHKATP53MAPTTSHRPRMT5
SCHEMBL2433374 0.87 FPR2 (0.56) CHKATP53MAPTPOLBFPR2
SCHEMBL2533819 0.85 CHKA (0.58) CHKATP53MAPTTSHRLMNA
SCHEMBL2530593 0.84 CHKA (0.70) CHKATP53MAPTPOLBFPR2
SCHEMBL2403608 0.83 TP53 (0.55) CHKATP53MAPTFPR2FPR1
SCHEMBL2402568 0.82 CHKA (0.56) CHKATP53MAPTPOLBLMNA
SCHEMBL2406353 0.82 MAPT (0.56) CHKATP53MAPTPOLBFPR2
SCHEMBL2534523 0.81 CHKA (0.68) CHKATP53MAPTPOLBLMNA

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 3 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 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 1/4885TP53 1116/4885MAPT 1448/4885

“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.