SCHEMBL5997173

SCHEMBL5997173

CC(C)C1CCc2nc3sc(C#N)c(N)c3cc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.61
KDM4E B2RXH2 11/20 0.61
ALDH1A1 P00352 8/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.42
HSD17B10 Q99714 3/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 2/20 0.42
XBP1 P17861 1/20 0.42
TP53 P04637 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MPO P05164 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL13670442 0.85 MAPT (0.65) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4704685 0.82 MAPT (0.61) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL22690991 0.82 MAPT (0.61) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4704433 0.80 KDM4E (0.55) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL13154843 0.78 KDM4E (0.65) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4703109 0.74 KDM4E (0.56) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4704337 0.71 KDM4E (0.53) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL13154827 0.70 MAPT (0.46) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL5996852 0.68 MAPT (0.44) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL21358080 0.67 KDM4E (0.34) KDM4E

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 MAPT 434/4885KDM4E 501/4885ALDH1A1 2371/4885

“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.