SCHEMBL24112007

SCHEMBL24112007

Cc1ccc(/C=C/c2nc(COc3ccc(OCCCn4ccnn4)cc3)co2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.57
MINK1 Q8N4C8 1/20 0.57
ATP4A P20648 5/20 0.36
ATP4B P51164 5/20 0.36
NCF1 P14598 5/20 0.35
MAPT P10636 3/20 0.33
GRM5 P41594 1/20 0.33
QPCT Q16769 1/20 0.32
CA9 Q16790 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYBB P04839 1/20 0.31
NOX5 Q96PH1 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
SCHEMBL24112048 0.93 ERBB2 (0.65) ERBB2MINK1ATP4AATP4BMAPT
SCHEMBL26316884 0.92 ERBB2 (0.52) ERBB2MINK1ATP4AATP4BMAPT
SCHEMBL26316579 0.92 ERBB2 (0.69) ERBB2MINK1ATP4AATP4BNCF1
SCHEMBL24112051 0.90 ERBB2 (0.54) ERBB2MINK1NCF1MAPTGRM5
SCHEMBL24112017 0.90 ERBB2 (0.50) ERBB2MINK1MAPTGRM5SMN1; SMN2
SCHEMBL26316603 0.90 ERBB2 (0.52) ERBB2MINK1MAPT
SCHEMBL26316601 0.89 ERBB2 (0.51) ERBB2MINK1MAPTSMN1; SMN2
SCHEMBL24112070 0.89 ERBB2 (0.56) ERBB2MINK1MAPTGRM5
SCHEMBL22398129 0.88 ERBB2 (0.66) ERBB2MINK1ATP4AATP4BNCF1
SCHEMBL28900623 0.84 ERBB2 (0.66) ERBB2MINK1ATP4AATP4BNCF1

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 4 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
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 US disclosed
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 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 (3 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 1781/4885ATP4A 1129/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ATP4A 1802/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ATP4A 1802/4885

“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.