SCHEMBL21606916

SCHEMBL21606916

Cc1nc2cc(C)c(F)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.70
SMN1; SMN2 Q16637 5/20 0.63
ALDH1A1 P00352 3/20 0.63
TP53 P04637 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
HSD17B10 Q99714 2/20 0.63
PKM P14618 2/20 0.63
MAPT P10636 1/20 0.63
HPGD P15428 1/20 0.63
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
ILK Q13418 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
P2RX7 Q99572 4/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL15125078 0.92 GAA (0.70) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL14297419 0.88 SMN1; SMN2 (0.68) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL30422583 0.83 GAA (1.00) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL33272 0.83 GAA (1.00) GAASMN1; SMN2ALDH1A1TP53NPC1
Bromide SCHEMBL10995945 0.81 GAA (0.95) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL21604553 0.81 SMN1; SMN2 (0.59) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL30002611 0.81 SMN1; SMN2 (0.72) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL21882016 0.81 SMN1; SMN2 (0.59) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL4384430 0.80 SMN1; SMN2 (0.85) GAASMN1; SMN2ALDH1A1TP53NPC1
SCHEMBL12635465 0.78 SMN1; SMN2 (1.00) GAASMN1; SMN2ALDH1A1TP53NPC1

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-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 US disclosed
US-20210115040-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-04-22 US disclosed
WO-2020252205-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-12-17 WO disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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 (2 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-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN GAA 15/4885SMN1; SMN2 103/4885ALDH1A1 3839/4885
US-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN GAA 15/4885SMN1; SMN2 103/4885ALDH1A1 3839/4885

“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.