SCHEMBL5998000

SCHEMBL5998000

CC(C)(C)C1CCc2nc3sc(C(N)=S)cc3cc2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
MAPT P10636 5/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 2/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
ANO1 Q5XXA6 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
PDE4B Q07343 1/20 0.32

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
SCHEMBL4758778 0.88 RORC (0.35) TP53MAPTRORCALDH1A1NPC1
SCHEMBL4702022 0.88 MAPT (0.40) TP53MAPTRORCALDH1A1NPC1
SCHEMBL22691739 0.84 MAPT (0.40) TP53MAPTRORCALDH1A1NPC1
SCHEMBL29926097 0.84 MAPT (0.40) TP53MAPTRORCALDH1A1NPC1
SCHEMBL22699253 0.84 ALDH1A1 (0.39) TP53MAPTRORCALDH1A1NPC1
SCHEMBL4701786 0.84 MAPT (0.40) TP53MAPTRORCALDH1A1NPC1
SCHEMBL4702415 0.84 MAPT (0.40) TP53MAPTRORCALDH1A1NPC1
SCHEMBL4702389 0.83 ALDH1A1 (0.41) TP53MAPTRORCALDH1A1NPC1
SCHEMBL4702387 0.83 ALDH1A1 (0.41) TP53MAPTRORCALDH1A1NPC1
SCHEMBL5997102 0.82 ALDH1A1 (0.45) TP53MAPTRORCALDH1A1NPC1

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 TP53 580/4885MAPT 434/4885RORC 2343/4885

“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.