SCHEMBL22778843

SCHEMBL22778843

COc1ccc(Cl)cc1C(=O)Nc1ccc(CCN2CCCCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.82
▸ ALDH1A1 P00352 5/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ HTT P42858 1/20 0.57
▸ KCNMA1 Q12791 1/20 0.56
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ NPC1 O15118 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ AHR P35869 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ RAB9A P51151 1/20 0.53

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
SCHEMBL17731943 0.90 LMNA (1.00) LMNAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL22778869 0.90 LMNA (0.67) LMNAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL17740327 0.90 LMNA (0.67) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL22778824 0.85 LMNA (0.60) LMNAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL22778815 0.81 MEN1 (0.73) LMNAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL17740304 0.81 GAA (0.58) LMNAALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL24438365 0.81 ALDH1A1 (0.69) LMNAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL30692666 0.81 ALDH1A1 (0.69) LMNAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL11480131 0.80 ALDH1A1 (0.67) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL17740372 0.80 LMNA (0.80) LMNAALDH1A1KDM4ESMN1; SMN2MEN1

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 4 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

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 3811/4885KDM4E 4630/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 LMNA 842/4885ALDH1A1 3811/4885KDM4E 4630/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 LMNA 842/4885ALDH1A1 3811/4885KDM4E 4630/4885

“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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