SCHEMBL4128009

SCHEMBL4128009

O=C(O)C(Cc1ccccc1)n1ccccc1=S

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTPN7 P35236 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL18258615 0.78 HSD17B10 (1.00) HSD17B10NPSR1MAPTKMT2AL3MBTL1
SCHEMBL18258610 0.78 HSD17B10 (1.00) HSD17B10NPSR1MAPTKMT2AL3MBTL1
SCHEMBL15330975 0.75 HSD17B10 (0.55) HSD17B10NPSR1MAPTKMT2AL3MBTL1
SCHEMBL27691488 0.74 HSD17B10 (0.54) HSD17B10NPSR1MAPTKMT2AL3MBTL1
SCHEMBL27691489 0.74 HSD17B10 (0.54) HSD17B10NPSR1MAPTKMT2AL3MBTL1
SCHEMBL9588355 0.72 HSD17B10 (0.51) HSD17B10NPSR1MAPTKMT2AL3MBTL1
SCHEMBL21351765 0.72 ALDH1A1 (0.51) HSD17B10NPSR1MAPTKMT2AL3MBTL1
SCHEMBL16144684 0.71 HSD17B10 (0.54) HSD17B10NPSR1MAPTKMT2AL3MBTL1
SCHEMBL15387048 0.70 HSD17B10 (0.62) HSD17B10NPSR1MAPTKMT2AL3MBTL1
SCHEMBL5791501 0.70 POLB (0.69) HSD17B10NPSR1MAPTKMT2AL3MBTL1

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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2009-05-21 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-20090131384-A1 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS NR1H3, NR1H2, SREBF1 HSD17B10 245/4885NPSR1 2102/4885MAPT 577/4885

“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.