SCHEMBL17992106

SCHEMBL17992106

OCNc1ccccc1CNC1=Nc2ccccc2NC12CCCCC2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ PDE7A Q13946 1/20 0.30
▸ 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
SCHEMBL17992079 0.90 ACAT2 (0.37) ACAT2
SCHEMBL17992024 0.89 — —
SCHEMBL17992070 0.89 — —
SCHEMBL17757113 0.88 ACAT2 (0.33) POLBKMT2APDE7AACAT2
SCHEMBL19523291 0.85 POLB (0.38) POLBKMT2A
SCHEMBL17757459 0.84 PDE7A (0.39) POLBKMT2APDE7AACAT2
SCHEMBL17757244 0.84 PDE7A (0.39) POLBKMT2APDE7AACAT2
SCHEMBL17757469 0.83 HDAC3 (0.35) KMT2APDE7A
SCHEMBL17757132 0.83 PIM1 (0.34) KMT2APDE7AACAT2
SCHEMBL17757236 0.83 KMT2A (0.48) POLBKMT2A

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 POLB 4545/4885KMT2A 4303/4885PDE7A 4506/4885

“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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