SCHEMBL20376014

SCHEMBL20376014

c1ccc2sc(-c3ccc4ncoc4c3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.52
APP P05067 2/20 0.49
ERN1 O75460 3/20 0.47
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC2 Q92769 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
CYP19A1 P11511 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACLY P53396 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
S1PR1 P21453 1/20 0.37
FYN P06241 1/20 0.36

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
SCHEMBL19492454 0.89 DYRK1A (0.52) DYRK1AAPPERN1HSD17B1HSD17B2
SCHEMBL20017371 0.83 DYRK1A (0.45) DYRK1AAPPERN1CA1CA2
SCHEMBL21851203 0.82 DYRK1A (0.41) DYRK1AAPPERN1CA1CA2
SCHEMBL21076175 0.79 MEN1 (0.41) DYRK1AAPPERN1NPC1RAB9A
SCHEMBL21966181 0.77 DYRK1A (0.41) DYRK1AAPPERN1HSD17B1HSD17B2
SCHEMBL447981 0.77 APP (0.56) DYRK1AAPPNPC1RAB9ASMN1; SMN2
SCHEMBL19629029 0.75 APP (0.53) APPERN1HSD17B1HSD17B2CA1
SCHEMBL20622215 0.74 DYRK1A (0.41) DYRK1AAPPNPC1RAB9ASMN1; SMN2
SCHEMBL24425916 0.74 DYRK1A (0.72) DYRK1APIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL32677328 0.74 APP (0.81) APPERN1HSD17B1HSD17B2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10434052-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles SAMUMED, LLC (US) 2019-10-08 US disclosed
US-20180193244-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-12 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 (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-20180193244-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA DYRK1A 428/4885APP 1719/4885ERN1 3400/4885
US-10434052-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles GLA, DGKA, DGKG DYRK1A 341/4885APP 2046/4885ERN1 2895/4885

“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.