SCHEMBL26316546

SCHEMBL26316546

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCn4cccn4)cc3)co2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 8/20 0.63
MINK1 Q8N4C8 1/20 0.63
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATP4A P20648 6/20 0.35
ATP4B P51164 6/20 0.35
FFAR1 O14842 1/20 0.34
MAPT P10636 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
SCHEMBL5790298 0.89 ERBB2 (0.60) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL5790299 0.89 ERBB2 (0.60) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL3668064 0.89 ERBB2 (0.80) ERBB2MINK1NPC1RAB9AHPGD
SCHEMBL3668068 0.89 ERBB2 (0.80) ERBB2MINK1NPC1RAB9AHPGD
SCHEMBL24112005 0.88 ERBB2 (0.54) ERBB2MINK1NPC1RAB9AHPGD
SCHEMBL26316661 0.86 ERBB2 (0.76) ERBB2MINK1NPC1RAB9AHPGD
SCHEMBL26316563 0.83 ERBB2 (0.54) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL6584042 0.82 ERBB2 (0.55) ERBB2MINK1NPC1RAB9AHPGD
SCHEMBL6584047 0.82 ERBB2 (0.55) ERBB2MINK1NPC1RAB9AHPGD
SCHEMBL26316665 0.82 ERBB2 (0.55) ERBB2MINK1NPC1RAB9AHPGD

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 1781/4885NPC1 3392/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885NPC1 3909/4885

“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.