SCHEMBL17758120

SCHEMBL17758120

Clc1cccc(CNC2=Nc3cc(Cl)nnc3NC23CCNCC3)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACAT2 Q9BWD1 1/20 0.41
▸ MAOB P27338 3/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ CCNT1 O60563 2/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ TMIGD3 P0DMS9 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ CDK9 P50750 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32

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
SCHEMBL17758124 0.84 ACAT2 (0.45) ACAT2MAOBHTR6CCNT1CDC7
SCHEMBL17757776 0.83 ACAT2 (0.48) ACAT2MAOBHTR6CCNT1CDC7
SCHEMBL29823199 0.82 ACAT2 (0.53) ACAT2MAOBHTR6CCNT1CDC7
SCHEMBL17757321 0.82 ACAT2 (0.47) ACAT2MAOBHTR6CCNT1CDC7
SCHEMBL17757768 0.82 ACAT2 (0.43) ACAT2MAOBHTR6CCNT1CDC7
SCHEMBL17757281 0.82 ACAT2 (0.53) ACAT2MAOBHTR6CCNT1CDC7
SCHEMBL17758027 0.81 ACAT2 (0.47) ACAT2MAOBHTR6CCNT1CDC7
SCHEMBL17757772 0.80 ACAT2 (0.41) ACAT2MAOBHTR6CCNT1CDC7
SCHEMBL17757766 0.80 ACAT2 (0.41) ACAT2MAOBHTR6CCNT1CDC7
SCHEMBL17758029 0.80 ACAT2 (0.45) ACAT2MAOBHTR6CCNT1CDC7

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 1935/4885MAOB 2633/4885HTR6 1352/4885

“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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