SCHEMBL19934613

SCHEMBL19934613

c1ccc(C2(NC3=Nc4ccccc4NC34CCCCC4)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HDAC3 O15379 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ PDE7A Q13946 1/20 0.35
▸ VNN1 O95497 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ SSTR4 P31391 1/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ GRIA3 P42263 1/20 0.32
▸ GRIA4 P48058 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
SCHEMBL17757876 0.87 HDAC6 (0.40) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL17757617 0.83 PDE7A (0.39) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL17757546 0.77 HDAC6 (0.38) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL17757761 0.77 ACAT2 (0.43) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL17757653 0.76 KMT2A (0.41) KDM4EMAPTPDE7ANPC1GAA
SCHEMBL14398518 0.76 KMT2A (0.41) KDM4EMAPTPDE7ANPC1GAA
SCHEMBL17757467 0.76 KMT2A (0.41) KDM4EMAPTPDE7ANPC1GAA
SCHEMBL17757028 0.76 HDAC6 (0.38) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL14398526 0.76 PDE7A (0.36) KDM4EMAPTPDE7ANPC1GAA
SCHEMBL17757634 0.75 KMT2A (0.39) KDM4EMAPTPDE7ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-10280179-B2 Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 KDM4E 3446/4885MAPT 4096/4885HDAC3 1093/4885
US-20180065982-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 KDM4E 3430/4885MAPT 4056/4885HDAC3 1169/4885

“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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