SCHEMBL31700539

SCHEMBL31700539

CCOC(=O)c1c(NC(=O)c2ccccc2F)sc(C(N)=O)c1C

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.84
KDM4E B2RXH2 5/20 0.84
HPGD P15428 3/20 0.84
LMNA P02545 2/20 0.84
MAPT P10636 5/20 0.66
POLB P06746 3/20 0.66
NPSR1 Q6W5P4 3/20 0.59
RXFP1 Q9HBX9 2/20 0.57
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MAPK1 P28482 1/20 0.53
BRAF P15056 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 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
SCHEMBL31701605 0.87 MAPT (0.66) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL31701020 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL31701604 0.82 BRAF (0.67) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL29378520 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL31701125 0.80 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL31701624 0.79 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL31700686 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL31701007 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL8290769 0.77 MAPT (0.79) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL8288650 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDLMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250319056-A1 METHODS FOR TREATING CANCER UNIV INDIANA TRUSTEES (US) 2025-10-16 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-20250319056-A1 METHODS FOR TREATING CANCER HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2316/4885KDM4E 3488/4885HPGD 1425/4885

“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.