SCHEMBL19523256

SCHEMBL19523256

COC(=O)c1cccc(CNC2=Nc3ccccc3NC23CCOCC3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.43
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ SENP1 Q9P0U3 1/20 0.39
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ MPO P05164 1/20 0.37
▸ PPM1D O15297 2/20 0.37
▸ ROCK2 O75116 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL19934614 0.91 HIF1A (0.44) HIF1ALOXL2PARP1SENP1CYP4F2
SCHEMBL19523229 0.90 HIF1A (0.44) HIF1ALOXL2PARP1SENP1CYP4F2
SCHEMBL17757531 0.90 MRGPRX4 (0.41) HIF1AMRGPRX4PPM1D
SCHEMBL19523237 0.90 CA1 (0.42) PIK3CAPIK3CBNPC1LMNARAB9A
SCHEMBL19523235 0.89 PIK3CB (0.39) PIK3CBPARP1ROCK2
SCHEMBL19523217 0.88 PIK3CB (0.40) HIF1APIK3CBROCK2LMNASMN1; SMN2
SCHEMBL17992112 0.86 HDAC8 (0.32) HIF1APIK3CBMRGPRX4PARP1
SCHEMBL17758037 0.85 PDE2A (0.40) HIF1ASMN1; SMN2ALDH1A1
SCHEMBL17757543 0.85 ALOX5 (0.33) ALOX5
SCHEMBL17757044 0.83 PDE2A (0.38) PIK3CAPIK3CBLMNAALDH1A1

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 HIF1A 1687/4885PIK3CA 2107/4885PIK3CB 2669/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 HIF1A 1258/4885PIK3CA 1721/4885PIK3CB 2100/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 HIF1A 1205/4885PIK3CA 1716/4885PIK3CB 2190/4885

“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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