SCHEMBL26316663

SCHEMBL26316663

Cc1ccc(/C=C/c2nc(COc3ccc(CCCI)cc3)co2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 8/20 0.53
MINK1 Q8N4C8 1/20 0.53
FFAR1 O14842 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.33

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
SCHEMBL26316662 0.89 ERBB2 (0.53) ERBB2MINK1FFAR1NPC1RAB9A
SCHEMBL26316563 0.88 ERBB2 (0.54) ERBB2MINK1FFAR1NPC1RAB9A
SCHEMBL22398038 0.87 ERBB2 (0.69) ERBB2MINK1
SCHEMBL22398041 0.87 ERBB2 (0.69) ERBB2MINK1
SCHEMBL6579828 0.86 ERBB2 (0.54) ERBB2MINK1FFAR1NPC1RAB9A
SCHEMBL6579832 0.86 ERBB2 (0.54) ERBB2MINK1FFAR1NPC1RAB9A
SCHEMBL26316567 0.85 ERBB2 (0.51) ERBB2MINK1FFAR1NPC1RAB9A
SCHEMBL5752039 0.84 ERBB2 (0.71) ERBB2MINK1
SCHEMBL5752043 0.84 ERBB2 (0.71) ERBB2MINK1
SCHEMBL26316546 0.82 ERBB2 (0.63) ERBB2MINK1FFAR1NPC1RAB9A

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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 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 (2 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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 ERBB2 2558/4885MINK1 1781/4885FFAR1 4743/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885FFAR1 4637/4885

“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.