SCHEMBL17757263

SCHEMBL17757263

Clc1cccc(C/N=C2/N(C3CCOC3)c3ccccc3NC23CCOCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.43
▸ MAOB P27338 3/20 0.33
▸ HTR6 P50406 3/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL17757273 0.78 ACAT2 (0.41) ACAT2
SCHEMBL17757274 0.78 ACAT2 (0.54) ACAT2HTR6KDM4EALDH1A1GLA
SCHEMBL17757272 0.72 ACAT2 (0.50) ACAT2KDM4EGAAKMT2A
SCHEMBL17757264 0.70 ACAT2 (0.40) ACAT2HTR6GAAKMT2A
SCHEMBL21982460 0.69 ACAT2 (0.43) ACAT2HTR6GAA
SCHEMBL17757268 0.68 ACAT2 (0.46) ACAT2HTR6MAPTL3MBTL1KMT2A
SCHEMBL17757980 0.67 ACAT2 (0.38) ACAT2ALDH1A1GAAKMT2A
SCHEMBL17757269 0.66 ACAT2 (0.56) ACAT2HTR6GAAL3MBTL1KMT2A
SCHEMBL16410767 0.64 ACAT2 (0.43) ACAT2ALDH1A1MAPTKMT2A
SCHEMBL17757951 0.62 ACAT2 (0.56) ACAT2HTR6GAAMAPTKMT2A

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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 — — US disclosed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — 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 (1 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1935/4885MAOB 2633/4885HTR6 1352/4885

“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.

Send feedback