SCHEMBL17992112

SCHEMBL17992112

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ PARP1 P09874 1/20 0.30
▸ PIK3CB P42338 1/20 0.30

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
SCHEMBL17757531 0.90 MRGPRX4 (0.41) HDAC8HDAC6MRGPRX4HIF1A
SCHEMBL17992105 0.90 KMT2A (0.33) HDAC8HDAC6MRGPRX4HIF1APARP1
SCHEMBL17992084 0.89 ACAT2 (0.36) HDAC8HDAC6MRGPRX4HIF1A
SCHEMBL17992100 0.89 MAPK10 (0.32) —
SCHEMBL17992088 0.88 LMNA (0.33) HDAC8HDAC6MRGPRX4HIF1A
SCHEMBL17757836 0.86 HTT (0.38) PIK3CB
SCHEMBL17757218 0.86 HRH3 (0.34) HIF1APARP1PIK3CB
SCHEMBL19523256 0.86 HIF1A (0.43) MRGPRX4HIF1APARP1PIK3CB
SCHEMBL19523235 0.86 PIK3CB (0.39) HDAC8HDAC6PARP1PIK3CB
SCHEMBL17992071 0.85 ICMT (0.31) PARP1PIK3CB

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-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
US-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MUNCHEN (DE) 2016-08-04 — — 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 (1 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-20160222025-A1 SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 HDAC8 940/4885HDAC6 1425/4885MRGPRX4 1799/4885

“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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