SCHEMBL2530951

SCHEMBL2530951

CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3C)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.51
ALDH1A1 P00352 5/20 0.50
POLB P06746 2/20 0.48
TP53 P04637 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 2/20 0.47
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
PTPN1 P18031 1/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2531572 0.91 POLB (0.54) CHKAALDH1A1POLBTP53RXFP1
SCHEMBL12269651 0.91 ALDH1A1 (0.52) ALDH1A1TP53MAPTPRMT5WDR77
SCHEMBL2407502 0.91 FPR2 (0.52) ALDH1A1POLBTP53RXFP1MAPT
SCHEMBL2407378 0.90 MAPT (0.51) ALDH1A1POLBTP53RXFP1MAPT
SCHEMBL2531850 0.89 ALDH1A1 (0.57) CHKAALDH1A1POLBTP53RXFP1
SCHEMBL2404223 0.87 TP53 (0.52) ALDH1A1POLBTP53MAPTSMN1; SMN2
SCHEMBL2534636 0.85 CHKA (0.68) CHKAALDH1A1POLBTP53MAPT
SCHEMBL2405052 0.85 PTPN1 (0.55) ALDH1A1TP53RXFP1MAPTPRMT5
SCHEMBL2530593 0.85 CHKA (0.70) CHKAALDH1A1POLBTP53RXFP1
SCHEMBL2530988 0.84 POLB (0.52) CHKAALDH1A1POLBTP53RXFP1

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 1/4885ALDH1A1 1482/4885POLB 1897/4885

“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.