SCHEMBL26316627

SCHEMBL26316627

[N-]=[N+]=NCCCCc1ccc(NC(=O)c2coc(/C=C/c3ccc(F)cc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.40
ERBB2 P04626 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 1/20 0.35
HPSE Q9Y251 2/20 0.34
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL24111973 0.91 ERBB2 (0.43) KMT2ARAB9AMEN1ALDH1A1ERBB2
SCHEMBL28469073 0.91 ERBB2 (0.43) KMT2ARAB9AMEN1ALDH1A1ERBB2
SCHEMBL26316620 0.79 NPC1 (0.40) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL22398036 0.77 ERBB2 (0.47) KMT2ARAB9AMEN1ALDH1A1ERBB2
SCHEMBL22398039 0.77 ERBB2 (0.47) KMT2ARAB9AMEN1ALDH1A1ERBB2
SCHEMBL24111975 0.76 SMO (0.40) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL26316624 0.72 ERBB2 (0.50) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL26316616 0.72 ERBB2 (0.60) ERBB2
SCHEMBL22398254 0.71 ERBB2 (0.67) ERBB2
SCHEMBL22398256 0.71 ERBB2 (0.67) ERBB2

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 KMT2A 629/4885NPC1 3392/4885RAB9A 2806/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 KMT2A 887/4885NPC1 3909/4885RAB9A 2786/4885

“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.