SCHEMBL2528853

SCHEMBL2528853

CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3F)[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.66
POLB P06746 5/20 0.57
BLM P54132 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CHKA P35790 3/20 0.49
KMT2A Q03164 1/20 0.48
TP53 P04637 4/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
FPR2 P25090 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL2529817 0.93 RXFP1 (0.56) RXFP1POLBBLMTDP1CHKA
SCHEMBL2532361 0.92 RXFP1 (0.55) RXFP1POLBBLMTDP1CHKA
SCHEMBL2531859 0.92 RXFP1 (0.55) RXFP1POLBBLMTDP1CHKA
SCHEMBL2403784 0.90 RAB9A (0.54) RXFP1POLBBLMTDP1KMT2A
SCHEMBL2403580 0.87 POLB (0.51) RXFP1POLBBLMTDP1KMT2A
SCHEMBL2530988 0.86 POLB (0.52) RXFP1POLBBLMTDP1CHKA
SCHEMBL2531303 0.85 CHKA (0.54) RXFP1POLBTDP1CHKATP53
SCHEMBL2535245 0.85 RXFP1 (0.47) RXFP1CHKAKMT2ATP53MAPT
SCHEMBL2537292 0.84 RXFP1 (0.47) RXFP1POLBBLMTDP1CHKA
SCHEMBL2529831 0.84 RXFP1 (0.47) RXFP1POLBBLMTDP1CHKA

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 RXFP1 3392/4885POLB 1897/4885BLM 2608/4885

“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.