SCHEMBL17992052

SCHEMBL17992052

OCNc1cccc(CNC2=Nc3ccccc3NC23CCSCC3)c1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ ACAT2 Q9BWD1 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) PARP1ACAT2
SCHEMBL17992063 0.89 ACAT2 (0.36) PARP1ACAT2
SCHEMBL17757089 0.89 ROCK2 (0.33) LMNAPARP1ACAT2
SCHEMBL17992087 0.89 LMNA (0.33) LMNA
SCHEMBL17992071 0.88 ICMT (0.31) PARP1
SCHEMBL19523102 0.87 PARP1 (0.41) PARP1
SCHEMBL17758049 0.85 ACAT2 (0.43) LMNAACAT2
SCHEMBL17992088 0.85 LMNA (0.33) LMNA
SCHEMBL17757846 0.85 LMNA (0.39) LMNAACAT2
SCHEMBL17757381 0.85 HRH3 (0.34) LMNAPARP1ACAT2

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 LMNA 1655/4885PARP1 1078/4885ACAT2 1509/4885

“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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