SCHEMBL17757225

SCHEMBL17757225

c1ccc(-c2ccccc2CNC2=Nc3ccccc3NC23CCOCC3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ HTR7 P34969 2/20 0.31
▸ CBLB Q13191 3/20 0.31

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
SCHEMBL16410627 0.89 SLC6A2 (0.33) SLC6A2SLC6A4ALDH1A1CYP2D6KMT2A
SCHEMBL17757469 0.89 HDAC3 (0.35) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL17757296 0.88 SLC6A2 (0.39) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL17757390 0.87 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6SLC6A2
SCHEMBL17757325 0.85 PIK3CA (0.39) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL17757337 0.84 CYP2A13 (0.36) —
SCHEMBL17758060 0.84 STAT6 (0.32) —
SCHEMBL17757340 0.84 CYP2A13 (0.36) SLC6A2SLC6A4ALDH1A1CYP2D6KMT2A
SCHEMBL17757324 0.84 CYP2A13 (0.36) ALDH1A1CYP2D6KMT2AMAPTKDM4E
SCHEMBL17757219 0.84 ALDH1A1 (0.35) HDAC3HDAC1HDAC2HDAC6ALDH1A1

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 HDAC3 771/4885HDAC1 942/4885HDAC2 655/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 HDAC3 1169/4885HDAC1 1644/4885HDAC2 1249/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 HDAC3 1093/4885HDAC1 1586/4885HDAC2 1177/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 HDAC3 1169/4885HDAC1 1644/4885HDAC2 1249/4885

“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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