SCHEMBL19934618

SCHEMBL19934618

COC(=O)c1ccc(CNC2=Nc3ccccc3NC23CCCCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ SSTR3 P32745 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AR P10275 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ LOXL2 Q9Y4K0 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
SCHEMBL19523203 0.91 CA1 (0.43) LMNARAB9AHTTNPC1CA1
SCHEMBL19523237 0.90 CA1 (0.42) LMNARAB9AHTTNPC1CA1
SCHEMBL19523172 0.90 CA1 (0.42) LMNARAB9AHTTNPC1CA1
SCHEMBL19934614 0.89 HIF1A (0.44) LMNARAB9AHTTNPC1CA1
SCHEMBL17757606 0.89 ALDH1A1 (0.41) LMNARAB9AHTTNPC1MEN1
SCHEMBL19523284 0.88 GPR39 (0.37) LMNARAB9AHTTNPC1KMT2A
SCHEMBL19523228 0.87 CYP1A2 (0.41) LMNARAB9AHTTNPC1CYP2C19
SCHEMBL17757445 0.85 ACAT2 (0.37) LMNARAB9AHTTNPC1MEN1
SCHEMBL17757854 0.85 MEN1 (0.38) LMNARAB9ANPC1SSTR3MEN1
SCHEMBL17757110 0.85 ACAT2 (0.47) RAB9AHTTNPC1SSTR3CYP2C19

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 LMNA 2101/4885RAB9A 4069/4885HTT 1986/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 LMNA 1695/4885RAB9A 2245/4885HTT 2410/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 LMNA 1655/4885RAB9A 2221/4885HTT 2259/4885

“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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