SCHEMBL17740316

SCHEMBL17740316

COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ TYK2 P29597 1/20 0.48
▸ LMNA P02545 6/20 0.47
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ FAAH O00519 2/20 0.43
▸ HTR2A P28223 1/20 0.43

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
SCHEMBL17740304 0.85 GAA (0.58) ALDH1A1TYK2LMNAMAPTKMT2A
SCHEMBL22778824 0.84 LMNA (0.60) ALDH1A1LMNATP53MAPTKMT2A
SCHEMBL17740288 0.83 FAAH (0.52) LMNATP53MAPTSMN1; SMN2HTT
SCHEMBL17740324 0.83 TYK2 (0.54) ALDH1A1TYK2LMNAMAPTKMT2A
SCHEMBL17740340 0.83 L3MBTL1 (0.59) ALDH1A1TYK2LMNATP53MAPT
SCHEMBL8699711 0.80 KMT2A (0.52) ALDH1A1MAPTKMT2AMEN1EPHX2
SCHEMBL18889415 0.79 SIGMAR1 (0.53) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL17740287 0.76 GAA (0.71) ALDH1A1TYK2LMNAMAPTKMT2A
SCHEMBL5995904 0.75 MAPT (0.47) ALDH1A1TYK2TP53MAPTKMT2A
SCHEMBL22778865 0.75 LMNA (0.72) ALDH1A1LMNATP53MAPTKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2024-02-29 — — US disclosed
US-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2024-02-29 — — US disclosed
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIV KANSAS (US) 2022-12-15 — — US disclosed
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) UNIVERSITY OF KANSAS (US) 2020-12-15 — — US disclosed
WO-2016073633-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2016-05-12 — — WO 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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 ALDH1A1 3811/4885TYK2 4080/4885LMNA 842/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 ALDH1A1 3811/4885TYK2 4080/4885LMNA 842/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 ALDH1A1 3811/4885TYK2 4080/4885LMNA 842/4885

“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.

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