SCHEMBL6312689

SCHEMBL6312689

COC(=O)c1nnc(N=C=O)s1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CES1 P23141 1/20 0.36
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6317668 0.82 ALDH1A1 (0.38) ALDH1A1MAPTTSHRKMT2AHSD17B10
SCHEMBL18352875 0.71 CES1 (0.42) ALDH1A1CES1MAPTTSHRKMT2A
SCHEMBL6311434 0.70 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10NPSR1
SCHEMBL7453197 0.70 SMN1; SMN2 (0.43) ALDH1A1CES1MAPTTSHRKMT2A
SCHEMBL6318759 0.69
SCHEMBL368639 0.68 HSD17B10 (0.50) ALDH1A1CES1MAPTTSHRKMT2A
SCHEMBL27264408 0.68 TSHR (0.42) ALDH1A1CES1MAPTTSHRKMT2A
SCHEMBL6319267 0.67
SCHEMBL25144949 0.67 ALDH1A1 (0.40) ALDH1A1CES1MAPTTSHRKMT2A
SCHEMBL6310290 0.67 MAOA (0.43) ALDH1A1MAPTKMT2ANPSR1

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 ALDH1A1 65/4885CES1 792/4885MAPT 3828/4885

“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.