SCHEMBL19934614

SCHEMBL19934614

COC(=O)c1cccc(CNC2=Nc3ccccc3NC23CCCCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.44
▸ PARP1 P09874 1/20 0.42
▸ PPM1D O15297 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ SENP1 Q9P0U3 1/20 0.40
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36

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
SCHEMBL19523229 0.91 HIF1A (0.44) HIF1APARP1PPM1DNPC1LMNA
SCHEMBL19523256 0.91 HIF1A (0.43) HIF1APARP1PPM1DNPC1LMNA
SCHEMBL19934618 0.89 LMNA (0.51) NPC1LMNARAB9AHTTLOXL2
SCHEMBL17757867 0.89 PPM1D (0.44) HIF1APPM1DLMNA
SCHEMBL19523254 0.89 TDO2 (0.39) PARP1NPC1RAB9ASLC7A5ROCK2
SCHEMBL19523258 0.88 CYP1A2 (0.37) HIF1APARP1NPC1LMNARAB9A
SCHEMBL17992105 0.85 KMT2A (0.33) HIF1APARP1PPM1DTSHR
SCHEMBL17757418 0.84 MEN1 (0.49) HIF1ASMN1; SMN2TSHR
SCHEMBL31307839 0.84 MEN1 (0.49) HIF1ASMN1; SMN2TSHR
SCHEMBL17757466 0.84 KMT2A (0.35) PARP1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1687/4885PARP1 1702/4885PPM1D 1239/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 HIF1A 1258/4885PARP1 1066/4885PPM1D 1563/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 HIF1A 1205/4885PARP1 1078/4885PPM1D 1502/4885

“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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