SCHEMBL26316637

SCHEMBL26316637

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCOC(=O)N4CCOCC4)cc3)co2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
FKBP1A P62942 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL22398146 0.90 ERBB2 (0.60) ERBB2MINK1NPC1RAB9A
SCHEMBL22398148 0.90 ERBB2 (0.60) ERBB2MINK1NPC1RAB9A
SCHEMBL26316639 0.83 ERBB2 (0.51) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL26316636 0.82 ERBB2 (0.48) ERBB2MINK1APPHRH3
SCHEMBL26316563 0.81 ERBB2 (0.54) ERBB2MINK1CYP3A4NPC1RAB9A
SCHEMBL26316662 0.80 ERBB2 (0.53) ERBB2MINK1NPC1RAB9AALDH1A1
SCHEMBL26316663 0.78 ERBB2 (0.53) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL26316567 0.76 ERBB2 (0.51) ERBB2MINK1NPC1RAB9ASMN1; SMN2
SCHEMBL26316738 0.75 ERBB2 (0.48) ERBB2MINK1POLBLMNAMAPT
SCHEMBL26316840 0.75 ERBB2 (0.54) ERBB2MINK1HPGDALDH1A1SMN1; 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 1781/4885CYP1A2 1179/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885CYP1A2 906/4885

“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.