SCHEMBL26316571

SCHEMBL26316571

CNCc1cn(CCCCc2ccc(OCc3coc(/C=C/c4ccc(C)cc4)n3)cc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.56
MINK1 Q8N4C8 1/20 0.56
CYP19A1 P11511 4/20 0.41
TYR P14679 2/20 0.40
ADRB2 P07550 4/20 0.39
CA9 Q16790 1/20 0.37
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
NCF1 P14598 2/20 0.36

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
SCHEMBL22397962 0.91 ERBB2 (0.70) ERBB2MINK1
SCHEMBL28475572 0.91 ERBB2 (0.70) ERBB2MINK1
SCHEMBL26316562 0.89 ERBB2 (0.57) ERBB2MINK1CYP19A1TYRADRB2
SCHEMBL26316569 0.89 ERBB2 (0.56) ERBB2MINK1CYP19A1TYRADRB2
SCHEMBL26316711 0.83 ERBB2 (0.53) ERBB2MINK1CYP19A1TYRADRB2
SCHEMBL26316576 0.83 ERBB2 (0.51) ERBB2MINK1CYP19A1TYRADRB2
SCHEMBL26316715 0.83 ERBB2 (0.49) ERBB2MINK1CYP19A1TYRADRB2
SCHEMBL26316840 0.83 ERBB2 (0.54) ERBB2MINK1CYP19A1TYRADRB2
SCHEMBL3668068 0.82 ERBB2 (0.80) ERBB2MINK1CYP19A1TYR
SCHEMBL3668064 0.82 ERBB2 (0.80) ERBB2MINK1CYP19A1TYR

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 1781/4885CYP19A1 1319/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885CYP19A1 1109/4885

“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.