SCHEMBL17757101

SCHEMBL17757101

O=S1(=O)CCC2(CC1)Nc1ccccc1N=C2NCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.37
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MMP3 P08254 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RAD52 P43351 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HCAR2 Q8TDS4 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ FABP4 P15090 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
SCHEMBL17757634 0.89 KMT2A (0.39) ACHETSHRKMT2AMMP3POLB
SCHEMBL17757413 0.88 ACAT2 (0.39) KMT2AKDM4EMAPTFABP4
SCHEMBL19934612 0.88 APP (0.34) ACHETSHRALDH1A1MAPK1PKM
SCHEMBL17757653 0.88 KMT2A (0.41) ACHETSHRKMT2AMMP3POLB
SCHEMBL17757467 0.88 KMT2A (0.41) ACHETSHRKMT2AMMP3POLB
SCHEMBL14398518 0.88 KMT2A (0.41) ACHETSHRKMT2AMMP3POLB
SCHEMBL17757098 0.85 ACHE (0.34) ACHETSHRKMT2AKDM4EMAPT
SCHEMBL17757203 0.84 ACAT2 (0.38) ACHETSHRKMT2AMMP3POLB
SCHEMBL17757017 0.83 HRH4 (0.39) ACHE
SCHEMBL17757846 0.83 LMNA (0.39) ACHEKMT2AMMP3POLBSMN1; SMN2

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 ACHE 4883/4885TSHR 1100/4885KMT2A 4518/4885
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACHE 4883/4885TSHR 1490/4885KMT2A 4303/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACHE 4883/4885TSHR 1527/4885KMT2A 4285/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ACHE 4883/4885TSHR 1490/4885KMT2A 4303/4885

“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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