SCHEMBL17740282

SCHEMBL17740282

COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCNCC3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HIF1A Q16665 1/20 0.53
▸ EPAS1 Q99814 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ P2RX7 Q99572 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SLC2A1 P11166 1/20 0.48

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
SCHEMBL17740324 0.91 TYK2 (0.54) TYK2GAASMN1; SMN2KMT2ALMNA
SCHEMBL17740287 0.89 GAA (0.71) TYK2GAASMN1; SMN2KMT2ALMNA
SCHEMBL17740292 0.87 L3MBTL1 (0.72) TYK2SMN1; SMN2KMT2ALMNAL3MBTL1
SCHEMBL17740372 0.81 LMNA (0.80) GAASMN1; SMN2KMT2ALMNAMAPT
SCHEMBL17740304 0.80 GAA (0.58) TYK2GAASMN1; SMN2KMT2ALMNA
SCHEMBL17740340 0.78 L3MBTL1 (0.59) TYK2SMN1; SMN2KMT2ALMNAL3MBTL1
SCHEMBL592479 0.74 SIGMAR1 (0.67) GAASMN1; SMN2KMT2A
SCHEMBL17740267 0.74 GAA (0.64) GAASMN1; SMN2KMT2ALMNAL3MBTL1
SCHEMBL17740316 0.74 ALDH1A1 (0.48) TYK2SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL28228196 0.74 SYK (0.54) SMN1; SMN2KMT2ALMNAMAPTHSD17B10

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 TYK2 4080/4885GAA 2047/4885SMN1; SMN2 3138/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 TYK2 4080/4885GAA 2047/4885SMN1; SMN2 3138/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 TYK2 4080/4885GAA 2047/4885SMN1; SMN2 3138/4885

“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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