SCHEMBL26316613

SCHEMBL26316613

Cc1ccc(/C=C/c2nc(CNc3ccc(CCCCO)cc3)co2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 17/20 0.64
MINK1 Q8N4C8 1/20 0.37
FFAR1 O14842 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PLEC Q15149 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22397877 0.87 ERBB2 (0.71) ERBB2MINK1
SCHEMBL22397874 0.87 ERBB2 (0.71) ERBB2MINK1
SCHEMBL26316616 0.86 ERBB2 (0.60) ERBB2MINK1FFAR1
SCHEMBL26316610 0.82 ERBB2 (0.58) ERBB2MINK1
SCHEMBL26316563 0.81 ERBB2 (0.54) ERBB2MINK1FFAR1MEN1ALDH1A1
SCHEMBL26316620 0.80 NPC1 (0.40) ERBB2MEN1ALDH1A1GAAMAPT
SCHEMBL29937224 0.78 ERBB2 (1.00) ERBB2
SCHEMBL26316662 0.78 ERBB2 (0.53) ERBB2MINK1FFAR1ALDH1A1
SCHEMBL22398254 0.75 ERBB2 (0.67) ERBB2MINK1
SCHEMBL22398256 0.75 ERBB2 (0.67) ERBB2MINK1

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.