SCHEMBL2531859

SCHEMBL2531859

CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TP53 P04637 5/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
BLM P54132 1/20 0.49
CHKA P35790 3/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
MAPT P10636 5/20 0.46

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
SCHEMBL2528853 0.92 RXFP1 (0.66) RXFP1ALDH1A1KDM4ETSHRMAPK1
SCHEMBL2403378 0.91 ALDH1A1 (0.65) RXFP1ALDH1A1KDM4ETSHRMAPK1
SCHEMBL2403675 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRMAPK1RAB9A
SCHEMBL2529817 0.90 RXFP1 (0.56) RXFP1ALDH1A1TP53POLBTDP1
SCHEMBL2404437 0.88 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRMAPK1RAB9A
SCHEMBL2403291 0.88 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRMAPK1RAB9A
SCHEMBL2532361 0.85 RXFP1 (0.55) RXFP1ALDH1A1MAPK1RAB9ATP53
SCHEMBL2530988 0.85 POLB (0.52) RXFP1ALDH1A1RAB9ATP53LMNA
SCHEMBL2533219 0.85 SMN1; SMN2 (0.48) RXFP1ALDH1A1KDM4ETP53POLB
SCHEMBL2531572 0.85 POLB (0.54) RXFP1ALDH1A1TP53LMNAPOLB

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 3392/4885ALDH1A1 1482/4885KDM4E 848/4885

“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.