SCHEMBL22778865

SCHEMBL22778865

COc1ccc(Cl)cc1C(=O)Nc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.72
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 5/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HPGD P15428 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ KCNMA1 Q12791 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NPC1 O15118 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ AHR P35869 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ RAB9A P51151 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
SCHEMBL22778824 0.92 LMNA (0.60) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL22778813 0.91 LMNA (0.59) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL17731943 0.84 LMNA (1.00) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL17740372 0.82 LMNA (0.80) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL22778876 0.82 LMNA (0.80) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL18083772 0.81 SMN1; SMN2 (0.64) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL5536182 0.79 VEGFA (0.68) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL18083681 0.77 ACKR3 (0.54) MAPTSMN1; SMN2TSHRMAPK1NPC1
SCHEMBL17066302 0.76 NPC1 (0.62) LMNAALDH1A1MAPTKMT2ANPSR1
SCHEMBL15263897 0.76 VEGFA (0.54) ALDH1A1MEN1KMT2ANPSR1HTT

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 3811/4885MAPT 260/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 LMNA 842/4885ALDH1A1 3811/4885MAPT 260/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 LMNA 842/4885ALDH1A1 3811/4885MAPT 260/4885

“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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