SCHEMBL6310434

SCHEMBL6310434

CC(=O)c1csc(N=C=O)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
BAZ2A Q9UIF9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ECE1 P42892 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6310290 0.81 MAOA (0.43) NPC1RAB9AMAPTALDH1A1
SCHEMBL6316988 0.73
SCHEMBL5609133 0.72 KDM1A (0.46) KDM1ANPC1RAB9AMAPTL3MBTL1
SCHEMBL6318798 0.69
SCHEMBL6311427 0.69
SCHEMBL5490419 0.69
SCHEMBL6319096 0.69 ATP4A (0.33) NPC1RAB9AMAPTALDH1A1
SCHEMBL2643511 0.69
SCHEMBL1669191 0.69 KDM1A (0.49) KDM1ANPC1RAB9AMAPTL3MBTL1
SCHEMBL1974224 0.69

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 KDM1A 595/4885NPC1 3375/4885RAB9A 2103/4885

“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.