SCHEMBL2530593

SCHEMBL2530593

CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.70
MAPT P10636 5/20 0.66
TP53 P04637 4/20 0.58
HSD17B10 Q99714 1/20 0.56
PKM P14618 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 2/20 0.52
FPR2 P25090 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.51

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 0.91 CHKA (0.68) CHKAMAPTTP53HSD17B10ALDH1A1
SCHEMBL2534643 0.90 CHKA (0.57) CHKAMAPTTP53HSD17B10SMN1; SMN2
SCHEMBL2407950 0.90 CHKA (0.56) CHKAMAPTTP53PKMSMN1; SMN2
SCHEMBL2532597 0.88 MAPT (0.55) CHKAMAPTTP53SMN1; SMN2RAB9A
SCHEMBL2531850 0.85 ALDH1A1 (0.57) CHKAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL2530951 0.85 CHKA (0.51) CHKAMAPTTP53PKMSMN1; SMN2
SCHEMBL2534523 0.84 CHKA (0.68) CHKAMAPTTP53ALDH1A1POLB
SCHEMBL2404836 0.84 CHKA (0.57) CHKAMAPTTP53RXFP1POLB
SCHEMBL2531967 0.84 CHKA (0.58) CHKAMAPTTP53HSD17B10SMN1; SMN2
SCHEMBL2535804 0.83 CHKA (0.59) CHKAMAPTTP53HSD17B10ALDH1A1

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 1/4885MAPT 1448/4885TP53 1116/4885

“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.