Sugi Predict

Sugi Predict / Compounds / SCHEMBL24112005

SCHEMBL24112005

SCHEMBL24112005

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCn4cccn4)cc3)co2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 3/20 0.54
▸ MINK1 Q8N4C8 1/20 0.54
▸ KLKB1 P03952 2/20 0.40
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ FFAR1 O14842 2/20 0.34
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ PPARG P37231 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
SCHEMBL26316579 0.90 ERBB2 (0.69) ERBB2MINK1KLKB1MAPTFFAR1
SCHEMBL22397990 0.89 ERBB2 (0.63) ERBB2MINK1MAPTFFAR1
SCHEMBL22398092 0.89 ERBB2 (0.63) ERBB2MINK1MAPTFFAR1
SCHEMBL26316546 0.88 ERBB2 (0.63) ERBB2MINK1MAPTNPC1RAB9A
SCHEMBL26316912 0.87 ERBB2 (0.47) ERBB2MINK1KLKB1MAPTNPC1
SCHEMBL24112048 0.87 ERBB2 (0.65) ERBB2MINK1KLKB1MAPTFFAR1
SCHEMBL26316779 0.87 ERBB2 (0.51) ERBB2MINK1MAPTFFAR1GRM5
SCHEMBL26316800 0.86 ERBB2 (0.50) ERBB2MINK1MAPTFFAR1GRM5
SCHEMBL26316771 0.86 ERBB2 (0.52) ERBB2MINK1
SCHEMBL26316793 0.86 ERBB2 (0.50) ERBB2MINK1SMN1; SMN2LMNAKMT2A

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 1781/4885KLKB1 2570/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885KLKB1 4161/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885KLKB1 4161/4885

“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.