SCHEMBL17740340

SCHEMBL17740340

COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ EPAS1 Q99814 1/20 0.59
▸ TYK2 P29597 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ POLB P06746 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GALR3 O60755 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL17740292 0.91 L3MBTL1 (0.72) L3MBTL1HIF1AEPAS1TYK2SMN1; SMN2
SCHEMBL17740304 0.90 GAA (0.58) TYK2SMN1; SMN2LMNANPC1RAB9A
SCHEMBL17740324 0.88 TYK2 (0.54) L3MBTL1TYK2SMN1; SMN2LMNAMAPT
SCHEMBL17740316 0.83 ALDH1A1 (0.48) TYK2SMN1; SMN2LMNATP53MAPT
SCHEMBL22778869 0.82 LMNA (0.67) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL17740287 0.80 GAA (0.71) L3MBTL1HIF1AEPAS1TYK2SMN1; SMN2
SCHEMBL17740282 0.78 TYK2 (0.57) L3MBTL1HIF1AEPAS1TYK2SMN1; SMN2
SCHEMBL28069120 0.77 KDM4E (0.59) L3MBTL1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9069989 0.75 SIGMAR1 (0.77) SMN1; SMN2KMT2AMEN1
SCHEMBL10380630 0.73 KMT2A (0.54) L3MBTL1HIF1AEPAS1SMN1; SMN2LMNA

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 L3MBTL1 3702/4885HIF1A 2601/4885EPAS1 2146/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 L3MBTL1 3702/4885HIF1A 2601/4885EPAS1 2146/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 L3MBTL1 3702/4885HIF1A 2601/4885EPAS1 2146/4885

“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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