SCHEMBL19523291

SCHEMBL19523291

CC(=O)Nc1ccccc1CNC1=Nc2ccccc2NC12CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ NPR1 P16066 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ STAT6 P42226 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL19523242 0.91 ACAT2 (0.35) NPR1SIRT1STAT6CDK2KMT2A
SCHEMBL19523188 0.90 STAT6 (0.38) POLBNPR1TDP1SIRT1STAT6
SCHEMBL19523265 0.90 NPR1 (0.34) NPR1SIRT1STAT6CDK2ALDH1A1
SCHEMBL17757113 0.86 ACAT2 (0.33) POLBKMT2A
SCHEMBL17992106 0.85 POLB (0.32) POLBKMT2A
SCHEMBL19523225 0.84 PTPN1 (0.44) L3MBTL1KMT2AALDH1A1HPGD
SCHEMBL17757866 0.82 HIF1A (0.39) POLBKMT2AALDH1A1
SCHEMBL19523283 0.82 ADRA1D (0.36) POLBKMT2AALDH1A1HPGD
SCHEMBL19523280 0.82 ADRA1D (0.38) POLBL3MBTL1KMT2AALDH1A1
SCHEMBL17757118 0.82 ACAT2 (0.37) POLBKMT2AHPGD

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 POLB 4543/4885NPR1 151/4885TDP1 2640/4885
US-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 POLB 4545/4885NPR1 334/4885TDP1 2688/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 POLB 4545/4885NPR1 311/4885TDP1 2642/4885

“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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