SCHEMBL23995592

SCHEMBL23995592

COc1ccc(CNC(C)S)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 2/20 0.50
IDO1 P14902 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRM2 P08172 1/20 0.49
SLC6A4 P31645 1/20 0.48
AGXT P21549 1/20 0.47

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
SCHEMBL278630 0.84 CASR (0.58) CASRL3MBTL1ALDH1A1IDO1MEN1
Hydrochloric Acid SCHEMBL14343449 0.82 CASR (0.57) CASRL3MBTL1ALDH1A1IDO1MEN1
SCHEMBL8610978 0.81 ALDH1A1 (0.57) CASRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL19289878 0.81 CASR (0.55) CASRL3MBTL1ALDH1A1IDO1MEN1
SCHEMBL22342333 0.79 CASR (0.71) CASRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL30865858 0.79 CASR (0.54) CASRL3MBTL1ALDH1A1IDO1MEN1
SCHEMBL12603587 0.79 CASR (0.71) CASRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL19865693 0.79 L3MBTL1 (0.57) CASRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL26625761 0.79 L3MBTL1 (0.50) CASRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9781346 0.78 CASR (0.53) CASRL3MBTL1ALDH1A1IDO1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168084-B2 Purine based compounds as toll-like receptor 9 antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-11-09 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-11168084-B2 Purine based compounds as toll-like receptor 9 antagonist TLR9, TLR1, TLR7 CASR 379/4885L3MBTL1 3833/4885ALDH1A1 2973/4885

“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.