SCHEMBL26316677

SCHEMBL26316677

Cc1ccc(/C=C/c2ccc(CBr)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.52
RELA Q04206 1/20 0.48
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
ALOX5 P09917 2/20 0.45
CA1 P00915 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41

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
SCHEMBL9004476 0.88 TRPA1 (0.48) NFE2L2PTGS1PTGS2ALOX5CA1
SCHEMBL9004477 0.88 TRPA1 (0.48) NFE2L2PTGS1PTGS2ALOX5CA1
SCHEMBL5734655 0.85 IDO1 (0.52) CA1IDO1CYP2A6MAPT
SCHEMBL121442 0.85
SCHEMBL11030165 0.83 IDO1 (0.50) IDO1CYP2A6MAPT
SCHEMBL20302436 0.83 IDO1 (0.50) IDO1CYP2A6NPC1RAB9AMAPT
SCHEMBL8885875 0.82 PTGS1 (0.54) NFE2L2RELAPTGS1PTGS2ALOX5
SCHEMBL8885870 0.82 PTGS1 (0.54) NFE2L2RELAPTGS1PTGS2ALOX5
SCHEMBL6903618 0.82 MAPT (0.42) CA1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4295413 0.81 TRPA1 (0.48) NFE2L2PTGS1PTGS2ALOX5

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 NFE2L2 58/4885RELA 1729/4885PTGS1 2321/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 NFE2L2 76/4885RELA 1859/4885PTGS1 2709/4885

“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.