SCHEMBL2531172

SCHEMBL2531172

CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
CHKA P35790 2/20 0.55
HSD17B10 Q99714 3/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
TP53 P04637 2/20 0.52
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.44
POLB P06746 1/20 0.44
KDM4C Q9H3R0 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
SCHEMBL2403804 0.90 TP53 (0.52) MAPTHSD17B10GLATSHRTP53
SCHEMBL2534523 0.89 CHKA (0.68) MAPTCHKATP53LMNAKDM4E
SCHEMBL2530997 0.85 CHKA (0.53) MAPTCHKATP53LMNAL3MBTL1
SCHEMBL2531979 0.85 CHKA (0.52) MAPTCHKATP53LMNAL3MBTL1
SCHEMBL2529717 0.85 CHKA (0.55) MAPTCHKATP53LMNAMAPK1
SCHEMBL2534643 0.85 CHKA (0.57) MAPTCHKAHSD17B10TP53MEN1
SCHEMBL2530946 0.83 CHKA (0.51) MAPTCHKATP53LMNAMEN1
SCHEMBL2534691 0.83 CHKA (0.60) MAPTCHKATP53LMNAKDM4E
SCHEMBL2535256 0.83 CHKA (0.52) MAPTCHKATP53LMNAL3MBTL1
SCHEMBL2407603 0.82 CHKA (0.52) MAPTCHKAHSD17B10GLALMNA

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 MAPT 1448/4885CHKA 1/4885HSD17B10 1432/4885

“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.