SCHEMBL17740267

SCHEMBL17740267

O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(OCc2ccccc2)ccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.64
▸ HRH3 Q9Y5N1 10/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ HTT P42858 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ MET P08581 1/20 0.57
▸ FAAH O00519 1/20 0.56

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
SCHEMBL17740287 0.84 GAA (0.71) GAASMN1; SMN2LMNAHTTALDH1A1
SCHEMBL7222507 0.84 LMNA (0.82) GAAHRH3SMN1; SMN2LMNAHTT
SCHEMBL17732039 0.82 LMNA (0.60) GAAHRH3SMN1; SMN2LMNAHTT
SCHEMBL17740245 0.82 LMNA (0.65) GAAHRH3SMN1; SMN2LMNAHTT
SCHEMBL4466439 0.80 SMN1; SMN2 (0.58) GAAHRH3SMN1; SMN2LMNAHTT
SCHEMBL17740265 0.79 LMNA (0.64) GAAHRH3SMN1; SMN2LMNAHTT
SCHEMBL4461598 0.79 ALDH1A1 (0.58) HRH3SMN1; SMN2LMNAHTTMEN1
SCHEMBL3044322 0.79 FAAH (0.69) HRH3SMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL3040621 0.77 LMNA (0.59) HRH3SMN1; SMN2LMNAHTTMEN1
Trifluoroacetic Acid SCHEMBL4474703 0.76 SMN1; SMN2 (0.53) HRH3SMN1; SMN2LMNAHTTMEN1

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 GAA 2047/4885HRH3 4657/4885SMN1; SMN2 3138/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 GAA 2047/4885HRH3 4657/4885SMN1; SMN2 3138/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 GAA 2047/4885HRH3 4657/4885SMN1; 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.

Send feedback