SCHEMBL5997656

SCHEMBL5997656

CC(C)(C)C1CCc2nc3sc(C(=O)NCCN)c(N)c3cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.57
MAPT P10636 10/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
USP28 Q96RU2 4/20 0.46
USP25 Q9UHP3 4/20 0.46
LMNA P02545 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
POLB P06746 2/20 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
SCHEMBL4704464 0.84 RAB9A (0.62) RORCMAPTTP53ALDH1A1KDM4E
SCHEMBL5996999 0.83 RORC (0.55) RORCMAPTTP53ALDH1A1KDM4E
SCHEMBL5997004 0.83 RORC (0.55) RORCMAPTTP53ALDH1A1KDM4E
SCHEMBL5997266 0.83 MAPT (0.66) RORCMAPTTP53ALDH1A1KDM4E
SCHEMBL13154849 0.82 ALDH1A1 (0.45) RORCMAPTTP53ALDH1A1KDM4E
SCHEMBL13954541 0.77 RORC (0.46) RORCMAPTTP53ALDH1A1KDM4E
SCHEMBL13447005 0.74 NAMPT (0.39) RORCMAPTTP53ALDH1A1KDM4E
SCHEMBL5996876 0.74 RORC (0.48) RORCMAPTTP53ALDH1A1KDM4E
SCHEMBL22690991 0.72 MAPT (0.61) RORCMAPTTP53ALDH1A1KDM4E
SCHEMBL13154827 0.72 MAPT (0.46) RORCMAPTTP53ALDH1A1KDM4E

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-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C RORC 2343/4885MAPT 434/4885TP53 580/4885

“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.