SCHEMBL17740305

SCHEMBL17740305

CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ GAA P10253 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ KMT2A Q03164 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ NPC1 O15118 6/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ LMNA P02545 2/20 0.57
▸ ROCK2 O75116 1/20 0.56
▸ MAPK1 P28482 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ GLA P06280 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
SCHEMBL17664636 0.83 MAPT (0.67) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL22516252 0.82 ALDH1A1 (0.60) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL29375935 0.82 ALDH1A1 (0.60) MAPTALDH1A1HTTNPSR1KMT2A
SCHEMBL19074825 0.81 NPC1 (0.74) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL14083374 0.81 MAPT (0.53) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL17660211 0.81 MAPT (0.65) MAPTALDH1A1HTTKMT2AMEN1
Hydrochloric Acid SCHEMBL9639136 0.80 NPC1 (0.72) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL27101262 0.80 ALDH1A1 (1.00) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL14083771 0.80 ALDH1A1 (0.54) MAPTALDH1A1GAAHTTNPSR1
SCHEMBL22516210 0.78 CA1 (0.65) MAPTALDH1A1GAANPSR1KMT2A

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 MAPT 260/4885ALDH1A1 3811/4885GAA 2047/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 MAPT 260/4885ALDH1A1 3811/4885GAA 2047/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 MAPT 260/4885ALDH1A1 3811/4885GAA 2047/4885

“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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