SCHEMBL20028039

SCHEMBL20028039

CCOC(=O)c1nccn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 5/20 0.52
GABRB2 P47870 5/20 0.52
ALDH1A1 P00352 5/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.48
PDE4D Q08499 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.46
F9 P00740 1/20 0.46
F10 P00742 1/20 0.46
PLAU P00749 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL30716670 0.88 CDC7 (0.45) GABRA2GABRB2ALDH1A1TP53HPGD
SCHEMBL30452306 0.88 ALDH1A1 (0.47) GABRA2GABRB2ALDH1A1MAPTTP53
SCHEMBL22309899 0.86 GABRA2 (0.54) GABRA2GABRB2ALDH1A1GAAMAPT
SCHEMBL22309820 0.85 PDE4D (0.51) GABRA2GABRB2GAAMAPTTP53
SCHEMBL29192833 0.84 RAB9A (0.44) GABRA2GABRB2ALDH1A1GAAMAPT
SCHEMBL4701544 0.83 ALDH1A1 (0.57) GABRA2GABRB2ALDH1A1MAPTTP53
SCHEMBL22290179 0.83 KMT2A (0.50) ALDH1A1GAAMAPTTP53NPC1
SCHEMBL27297862 0.83 PDE4B (0.44) GABRA2ALDH1A1GAAMAPTPDE4D
SCHEMBL29077940 0.81 GABRA2 (0.49) GABRA2GABRB2ALDH1A1MAPTALOX12
SCHEMBL1345334 0.78 SMN1; SMN2 (0.46) ALDH1A1GAATP53NPC1RAB9A

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 GABRA2 2754/4885GABRB2 1579/4885ALDH1A1 4193/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 GABRA2 2840/4885GABRB2 1715/4885ALDH1A1 4421/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 GABRA2 2754/4885GABRB2 1579/4885ALDH1A1 4193/4885

“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.