SCHEMBL26316800

SCHEMBL26316800

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCc4ccncc4)cc3)co2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 0.50
MINK1 Q8N4C8 1/20 0.50
FFAR1 O14842 4/20 0.35
GRM5 P41594 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
MAPT P10636 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
EPHX2 P34913 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL26316912 0.92 ERBB2 (0.47) ERBB2MINK1FFAR1GRM5ATP4A
SCHEMBL26316807 0.92 ERBB2 (0.46) ERBB2MINK1FFAR1GRM5ATP4A
SCHEMBL26316719 0.91 ERBB2 (0.46) ERBB2MINK1FFAR1GRM5ATP4A
SCHEMBL24112053 0.90 ERBB2 (0.45) ERBB2MINK1FFAR1GRM5MAPT
SCHEMBL26316918 0.89 ERBB2 (0.46) ERBB2MINK1FFAR1GRM5MAPT
SCHEMBL26316802 0.89 ERBB2 (0.45) ERBB2MINK1FFAR1GRM5ATP4A
SCHEMBL26316909 0.88 ERBB2 (0.46) ERBB2MINK1FFAR1GRM5MAPT
SCHEMBL26316720 0.88 ERBB2 (0.44) ERBB2MINK1FFAR1GRM5ATP4A
SCHEMBL26316793 0.87 ERBB2 (0.50) ERBB2MINK1ATP4AATP4B
SCHEMBL22397905 0.87 ERBB2 (0.59) ERBB2MINK1FFAR1

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.