SCHEMBL5458066

SCHEMBL5458066

CC(C)NC(=S)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.77
HTT P42858 2/20 0.77
MAPT P10636 8/20 0.69
GAA P10253 7/20 0.69
NPSR1 Q6W5P4 5/20 0.69
TDP1 Q9NUW8 4/20 0.69
LMNA P02545 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
TP53 P04637 1/20 0.68
XBP1 P17861 1/20 0.68
S1PR3 Q99500 1/20 0.68
IDO1 P14902 1/20 0.66
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
L3MBTL1 Q9Y468 3/20 0.61
KDM4E B2RXH2 2/20 0.61

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
SCHEMBL5444502 0.87 ALDH1A1 (1.00) ALDH1A1HTTMAPTGAANPSR1
SCHEMBL7175227 0.85 MAPT (0.86) ALDH1A1HTTMAPTGAANPSR1
SCHEMBL1754979 0.84 MAPT (0.61) ALDH1A1HTTMAPTGAANPSR1
SCHEMBL12412637 0.83 ALDH1A1 (0.76) ALDH1A1HTTMAPTGAANPSR1
SCHEMBL3425967 0.82 SMN1; SMN2 (0.77) ALDH1A1HTTMAPTGAANPSR1
SCHEMBL22024982 0.81 SMN1; SMN2 (0.75) ALDH1A1HTTMAPTGAANPSR1
SCHEMBL22567749 0.81 MAPT (0.78) ALDH1A1HTTMAPTGAANPSR1
SCHEMBL22567938 0.81 MAPT (0.78) ALDH1A1HTTMAPTGAANPSR1
SCHEMBL12377331 0.81 CDK1 (0.55) ALDH1A1HTTMAPTGAATDP1
Benzene SCHEMBL11583640 0.81 SMN1; SMN2 (0.80) ALDH1A1HTTMAPTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
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
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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 ALDH1A1 1301/4885HTT 4858/4885MAPT 4853/4885

“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.