SCHEMBL17740327

SCHEMBL17740327

COc1ccc(Cl)cc1C(=O)Nc1ccc(CCN2CCNCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.67
▸ ALDH1A1 P00352 5/20 0.57
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MAPT P10636 3/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ KCNMA1 Q12791 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ NPC1 O15118 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ AHR P35869 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ DNMT3A Q9Y6K1 1/20 0.50

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
SCHEMBL17740372 0.91 LMNA (0.80) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL22778843 0.90 LMNA (0.82) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL22778869 0.88 LMNA (0.67) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL22778824 0.83 LMNA (0.60) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL22778818 0.82 ALDH1A1 (0.63) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL17740324 0.82 TYK2 (0.54) LMNAALDH1A1KMT2AMAPTGAA
SCHEMBL17740374 0.81 LMNA (0.66) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL17731943 0.80 LMNA (1.00) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL24438365 0.80 ALDH1A1 (0.69) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL30692666 0.80 ALDH1A1 (0.69) LMNAALDH1A1MEN1KMT2AMAPT

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 LMNA 842/4885ALDH1A1 3811/4885MEN1 3043/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 LMNA 842/4885ALDH1A1 3811/4885MEN1 3043/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 LMNA 842/4885ALDH1A1 3811/4885MEN1 3043/4885

“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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