SCHEMBL22778815

SCHEMBL22778815

COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.73
▸ KMT2A Q03164 9/20 0.73
▸ LMNA P02545 2/20 0.72
▸ MAPT P10636 7/20 0.71
▸ RAB9A P51151 5/20 0.71
▸ NPC1 O15118 4/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ GFER P55789 2/20 0.71
▸ AHR P35869 2/20 0.71
▸ ALDH1A1 P00352 4/20 0.68
▸ KDM4E B2RXH2 2/20 0.68
▸ ATM Q13315 1/20 0.67
▸ USP2 O75604 1/20 0.64
▸ KCNMA1 Q12791 1/20 0.61
▸ GAA P10253 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ POLB P06746 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL22778848 0.90 MEN1 (0.69) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL22778818 0.89 ALDH1A1 (0.63) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL17740321 0.84 KMT2A (0.75) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL17731943 0.84 LMNA (1.00) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL22778843 0.81 LMNA (0.82) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL11515491 0.81 ALDH1A1 (0.82) MEN1KMT2ALMNAMAPTRAB9A
Hydrochloric Acid SCHEMBL18045308 0.81 KMT2A (0.95) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL24438712 0.80 ALDH1A1 (1.00) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL24438176 0.80 ALDH1A1 (0.80) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL24438368 0.80 ALDH1A1 (0.80) MEN1KMT2ALMNAMAPTRAB9A

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 MEN1 3043/4885KMT2A 4536/4885LMNA 842/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 MEN1 3043/4885KMT2A 4536/4885LMNA 842/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 MEN1 3043/4885KMT2A 4536/4885LMNA 842/4885

“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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