SCHEMBL26316567

SCHEMBL26316567

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCN=[N+]=[N-])cc3)co2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 7/20 0.51
MINK1 Q8N4C8 1/20 0.51
ADRB2 P07550 2/20 0.40
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
FFAR1 O14842 4/20 0.34
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
PPARA Q07869 1/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL22398082 0.89 ERBB2 (0.66) ERBB2MINK1
SCHEMBL22398081 0.89 ERBB2 (0.66) ERBB2MINK1
SCHEMBL26316720 0.87 ERBB2 (0.44) ERBB2MINK1ADRB2FFAR1ATP4A
SCHEMBL26316563 0.86 ERBB2 (0.54) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL26316663 0.85 ERBB2 (0.53) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL26316662 0.85 ERBB2 (0.53) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL26316616 0.83 ERBB2 (0.60) ERBB2MINK1ADRB2FFAR1
SCHEMBL26316546 0.80 ERBB2 (0.63) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL26316639 0.80 ERBB2 (0.51) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL3668068 0.79 ERBB2 (0.80) ERBB2MINK1NPC1RAB9ASMN1; SMN2

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 1781/4885ADRB2 4491/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ADRB2 4511/4885

“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.