SCHEMBL6316774

SCHEMBL6316774

O=C=Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.58
ATP4B P51164 1/20 0.58
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL6314157 0.83 RAB9A (0.60) ATP4AATP4BALDH1A1KDM4ENPC1
SCHEMBL6310648 0.83 RAB9A (0.49) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL6318070 0.79 MAPT (0.63) ATP4AATP4BALDH1A1KDM4EMEN1
SCHEMBL10898775 0.78 ATP4A (0.62) ATP4AATP4BALDH1A1KDM4EMEN1
SCHEMBL6310643 0.77 ATP4A (0.62) ATP4AATP4BALDH1A1KDM4ENPC1
SCHEMBL7239534 0.74 ALDH1A1 (0.55) ATP4AATP4BALDH1A1KDM4EMEN1
SCHEMBL823907 0.74 ATP4A (1.00) ATP4AATP4BNPC1MAPTRAB9A
SCHEMBL6318066 0.73 ATP4A (0.65) ATP4AATP4BALDH1A1KDM4EMEN1
SCHEMBL17352070 0.72
Bromide SCHEMBL825847 0.72 ATP4A (0.97) ATP4AATP4BNPC1MAPTRAB9A

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-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates MITSUI CHEMICALS, INC. (JP) 2005-06-30 US disclosed
EP-1489073-A1 PROCESS FORPREPARATION OF ALKOXYBENZAMIDES AND THIAZOLYL ISOCYANATES MITSUI CHEMICALS, INC. (JP) 2004-12-22 EP 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-20050143581-A1 Process for preparation of alkoxybenzamides and thiazolyl isocyanates CBR3, CBR1, IDH1 ATP4A 1592/4885ATP4B 1690/4885ALDH1A1 65/4885

“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.