SCHEMBL12377331

SCHEMBL12377331

CC(C)NC(=S)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.55
HTT P42858 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 4/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
KIF11 P52732 1/20 0.51
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 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
SCHEMBL24416458 0.85 ALDH1A1 (0.68) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL9453957 0.83 CDK1 (0.68) CDK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL1754979 0.83 MAPT (0.61) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL25507774 0.81 ALDH1A1 (0.53) HTTSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL5458066 0.81 ALDH1A1 (0.77) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12412636 0.80 L3MBTL1 (0.62) CDK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL13754522 0.80 ALDH1A1 (0.58) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL12377252 0.79 EPHX2 (0.70) HTTMEN1KMT2AKIF11MAPT
SCHEMBL19035689 0.79 KIF11 (0.54) CDK1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL26156209 0.79 GAA (0.63) CDK1HTTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 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-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 CDK1 1536/4885HTT 4858/4885MEN1 2906/4885

“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.