SCHEMBL17757295

SCHEMBL17757295

c1ccc(-c2cccc(CNC3=Nc4ccccc4NC34CCNCC4)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ USP2 O75604 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TP53 P04637 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ FFAR1 O14842 3/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ AOC3 Q16853 2/20 0.33

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
SCHEMBL17757442 0.90 PDE7A (0.38) HRH3KDM4CHIF1AFFAR1FFAR4
SCHEMBL17757179 0.90 KDM4E (0.35) ACAT2KDM4CUSP2ALDH1A1TP53
SCHEMBL17757203 0.90 ACAT2 (0.38) ACAT2ALDH1A1MAPK1HIF1ATSHR
SCHEMBL17757218 0.88 HRH3 (0.34) HRH3KDM4CALDH1A1HIF1AFFAR1
SCHEMBL17757381 0.88 HRH3 (0.34) ACAT2HRH3KDM4CALDH1A1MAPK1
SCHEMBL17757294 0.87 CTSB (0.39) ACAT2ALDH1A1CYP1A2CYP2D6MAPK1
SCHEMBL17757718 0.87 ACAT2 (0.38) ACAT2ALDH1A1HSD17B10MAPK1FFAR1
SCHEMBL17757281 0.87 ACAT2 (0.53) ACAT2MAPT
SCHEMBL17757722 0.87 ACAT2 (0.38) ACAT2KDM4CALDH1A1
SCHEMBL17757292 0.87 ACAT2 (0.38) ACAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3021847-B1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM GESUNDHEIT & UMWELT GMBH (DE) 2023-06-07 — — EP disclosed
US-RE48992-E1 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2022-03-29 — — US disclosed
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
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2019-05-07 — — US disclosed
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-03-08 — — US disclosed
US-9802956-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) 2017-10-31 — — US disclosed
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 — — 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 (4 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 1935/4885HRH3 4046/4885KDM4C 4540/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885HRH3 3654/4885KDM4C 4510/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1431/4885HRH3 3651/4885KDM4C 4514/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885HRH3 3654/4885KDM4C 4510/4885

“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.

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