SCHEMBL17757980

SCHEMBL17757980

NC(=O)CCN1/C(=N/Cc2cccc(Cl)c2)C2(CCOCC2)Nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.38
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ AMPD2 Q01433 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GRIN2B Q13224 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ NAAA Q02083 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
SCHEMBL17757264 0.88 ACAT2 (0.40) ACAT2KMT2AGAAMEN1GRIN2B
SCHEMBL17757970 0.76 ACAT2 (0.46) ACAT2KMT2AGAAMEN1POLB
SCHEMBL17757977 0.74 ACAT2 (0.50) ACAT2KMT2AGAAMEN1POLB
SCHEMBL17757960 0.74 ACAT2 (0.39) ACAT2KMT2AGAAMEN1POLB
SCHEMBL17757279 0.74 ACAT2 (0.50) ACAT2KMT2AGAAMEN1
SCHEMBL17757961 0.74 ACAT2 (0.39) ACAT2KMT2AGAAMEN1SMN1; SMN2
SCHEMBL21982537 0.74 ACAT2 (0.54) ACAT2KMT2AGAAMEN1HTR3A
SCHEMBL17757273 0.74 ACAT2 (0.41) ACAT2
SCHEMBL17757974 0.72 ACAT2 (0.42) ACAT2KMT2AGAAAMPD2MEN1
SCHEMBL17757951 0.72 ACAT2 (0.56) ACAT2KMT2AGAAMEN1

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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 — — US disclosed
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — WO 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-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ACAT2 1935/4885KMT2A 4518/4885GAA 2647/4885

“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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