SCHEMBL17992071

SCHEMBL17992071

OCNc1cccc(CNC2=Nc3ccccc3NC23CCOCC3)c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 3/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 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
SCHEMBL17992136 0.90 TSHR (0.36) PARP1
SCHEMBL17757507 0.89 ICMT (0.31) ICMTPARP1PIK3CB
SCHEMBL17992063 0.89 ACAT2 (0.36) PARP1
SCHEMBL17992096 0.89 L3MBTL1 (0.33) KDM4EGAA
SCHEMBL17992052 0.88 LMNA (0.31) PARP1
SCHEMBL19523252 0.87 PARP1 (0.41) ICMTPARP1KDM4EALDH1A1
SCHEMBL17992112 0.85 HDAC8 (0.32) PARP1PIK3CB
SCHEMBL17757836 0.85 HTT (0.38) PIK3CAPIK3CBKDM4EALDH1A1GAA
SCHEMBL17757218 0.85 HRH3 (0.34) PARP1PIK3CAPIK3CBKDM4EALDH1A1
SCHEMBL17757334 0.85 PIK3CA (0.40) ICMTPIK3CAPIK3CB

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 ICMT 3504/4885PARP1 1078/4885PIK3CA 1716/4885

“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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