SCHEMBL19523237

SCHEMBL19523237

COC(=O)c1ccc(CNC2=Nc3ccccc3NC23CCOCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ PIK3CA P42336 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ SSTR3 P32745 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK10 P53779 1/20 0.35

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
SCHEMBL19934618 0.90 LMNA (0.51) CA1CA2LMNANPC1HTT
SCHEMBL19523256 0.90 HIF1A (0.43) CA1CA2PIK3CALMNAPIK3CB
SCHEMBL19523203 0.89 CA1 (0.43) CA1CA2LMNANPC1HTT
SCHEMBL17757511 0.89 ALDH1A1 (0.39) PIK3CALMNAPIK3CBNPC1RAB9A
SCHEMBL19523215 0.88 PIK3CB (0.39) LMNAPIK3CBNPC1RAB9AMAPT
SCHEMBL19523172 0.88 CA1 (0.42) CA1CA2LMNANPC1HTT
SCHEMBL19523186 0.87 PIK3CB (0.39) LMNAPIK3CBNPC1HTTRAB9A
SCHEMBL17758046 0.86 MAPT (0.41) LMNANPC1RAB9AMAPTKMT2A
SCHEMBL17757220 0.86 MAPT (0.31) LMNAMAPTALOX5
SCHEMBL17757018 0.85 LMNA (0.39) LMNAPIK3CBNPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA1 3483/4885CA2 1701/4885PIK3CA 2107/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 CA1 3911/4885CA2 2748/4885PIK3CA 1721/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 CA1 3853/4885CA2 2679/4885PIK3CA 1716/4885

“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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