SCHEMBL4553650

SCHEMBL4553650

CCOC(=O)c1c(C)cnn1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 1/20 0.58
GAA P10253 2/20 0.57
MAPT P10636 2/20 0.57
HTT P42858 2/20 0.55
RAB9A P51151 1/20 0.55
TP53 P04637 1/20 0.55
ALOX12 P18054 1/20 0.55
PDE4D Q08499 1/20 0.55
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 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
SCHEMBL22230641 0.86 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL20027643 0.86 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL20027937 0.86 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL16060204 0.82 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL29036240 0.82 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL4300658 0.81 MAPK1 (0.54) ALDH1A1HPGDSMN1; SMN2MAPTHTT
SCHEMBL900158 0.81 PDE4B (0.58) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL462999 0.80 MAPK14 (0.50) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL1065124 0.79 ALDH1A1 (0.75) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL798337 0.78 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
EP-2044055-A2 AMIDE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-04-08 EP disclosed
WO-2008011131-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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 (4 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885HPGD 2346/4885SMN1; SMN2 200/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 ALDH1A1 4421/4885HPGD 2414/4885SMN1; SMN2 263/4885
US-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 ALDH1A1 231/4885HPGD 1195/4885SMN1; SMN2 2456/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 ALDH1A1 4193/4885HPGD 2346/4885SMN1; SMN2 200/4885

“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.