SCHEMBL17758099

SCHEMBL17758099

CC(C)(C)c1ccc(CNC2=Nc3ccccc3NC23CCCCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM1A O60341 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL17757486 0.90 LMNA (0.35) ACAT2KMT2ALMNASMN1; SMN2MEN1
SCHEMBL17758083 0.89 LMNA (0.35) KMT2ALMNASMN1; SMN2MEN1MAPT
SCHEMBL17757853 0.89 EPHX2 (0.37) ACAT2SMN1; SMN2KDM1A
SCHEMBL17757110 0.89 ACAT2 (0.47) ACAT2KMT2ASMN1; SMN2RAB9AHTT
SCHEMBL17757653 0.87 KMT2A (0.41) ACAT2KMT2AMAPTRAB9AGAA
SCHEMBL14398518 0.87 KMT2A (0.41) ACAT2KMT2AMAPTRAB9AGAA
SCHEMBL17757467 0.87 KMT2A (0.41) ACAT2KMT2AMAPTRAB9AGAA
SCHEMBL17757634 0.86 KMT2A (0.39) ACAT2KMT2AMEN1MAPTRAB9A
SCHEMBL17757117 0.85 ACAT2 (0.37) ACAT2KMT2AMAPTRAB9AGAA
SCHEMBL17757431 0.85 SSTR3 (0.38) ACAT2KMT2ALMNASMN1; SMN2MEN1

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 7 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
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 (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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1935/4885KMT2A 4518/4885LMNA 2101/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1431/4885KMT2A 4285/4885LMNA 1695/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACAT2 1509/4885KMT2A 4303/4885LMNA 1655/4885

“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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