SCHEMBL26316918

SCHEMBL26316918

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCc4ccccn4)cc3)co2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
MAPT P10636 6/20 0.40
FFAR1 O14842 4/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
SYK P43405 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL26316912 0.92 ERBB2 (0.47) ERBB2MINK1MAPTFFAR1SMN1; SMN2
SCHEMBL26316909 0.90 ERBB2 (0.46) ERBB2MINK1MAPTFFAR1CYSLTR2
SCHEMBL26316800 0.89 ERBB2 (0.50) ERBB2MINK1MAPTFFAR1CYSLTR2
SCHEMBL22398360 0.88 ERBB2 (0.54) ERBB2MINK1MAPTFFAR1KDM4E
SCHEMBL22398358 0.88 ERBB2 (0.54) ERBB2MINK1MAPTFFAR1KDM4E
SCHEMBL31130625 0.88 ERBB2 (0.54) ERBB2MINK1MAPTFFAR1KDM4E
SCHEMBL26316719 0.88 ERBB2 (0.46) ERBB2MINK1FFAR1SMN1; SMN2CYSLTR2
SCHEMBL24112053 0.87 ERBB2 (0.45) ERBB2MINK1MAPTFFAR1CYP2D6
SCHEMBL26316807 0.87 ERBB2 (0.46) ERBB2MINK1MAPTFFAR1CYSLTR2
SCHEMBL26316802 0.85 ERBB2 (0.45) ERBB2MINK1MAPTFFAR1SMN1; 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 1781/4885MAPT 4580/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885MAPT 4527/4885

“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.