SCHEMBL20027643

SCHEMBL20027643

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 1/20 0.52
ALOX12 P18054 1/20 0.52
PDE4D Q08499 1/20 0.52
NPBWR1 P48145 2/20 0.51
MCHR1 Q99705 2/20 0.51
TSHR P16473 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
SCHEMBL4553650 0.86 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL20027937 0.83 ALDH1A1 (0.60) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL3057553 0.81 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A
SCHEMBL20027644 0.79 NPC1 (0.57) ALDH1A1SMN1; SMN2GAAMAPTRAB9A
SCHEMBL1065124 0.77 ALDH1A1 (0.75) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL798337 0.76 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A
SCHEMBL900158 0.76 PDE4B (0.58) ALDH1A1HPGDSMN1; SMN2GAAMAPT
SCHEMBL21357581 0.76 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A
SCHEMBL1143334 0.75 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL13887595 0.75 NR4A3 (0.72) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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.