SCHEMBL17731990

SCHEMBL17731990

O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc(O)c2)on1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
TP53 P04637 4/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
MAPK1 P28482 2/20 0.71
NPSR1 Q6W5P4 1/20 0.71
NPC1 O15118 5/20 0.68
RAB9A P51151 4/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
NFKB1 P19838 1/20 0.68
CYP2C19 P33261 1/20 0.68
STAT3 P40763 1/20 0.68
STAT1 P42224 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
POLB P06746 3/20 0.67

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
SCHEMBL17732008 0.91 MAPT (0.73) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL17731938 0.89 NPC1 (0.74) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL17731969 0.89 MAPT (0.73) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL17732020 0.88 NPC1 (0.74) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL17731911 0.86 MEN1 (0.69) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL17732001 0.86 MEN1 (0.69) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL17732000 0.86 NPC1 (0.78) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL17732019 0.84 MAPT (0.66) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL20440911 0.84 NPC1 (0.69) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL27101119 0.83 NPC1 (0.67) MAPTTP53SMN1; SMN2MEN1KMT2A

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 11 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-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-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
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) UNIVERSITY OF KANSAS (US) 2020-12-15 US disclosed
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS 2018-10-04 US disclosed
EP-3215152-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) The University of Kansas (US) 2017-09-13 EP disclosed
WO-2016073633-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2016-05-12 WO 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 (4 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 260/4885TP53 503/4885SMN1; SMN2 3138/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 MAPT 260/4885TP53 503/4885SMN1; SMN2 3138/4885
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 MAPT 260/4885TP53 503/4885SMN1; SMN2 3138/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 MAPT 260/4885TP53 503/4885SMN1; SMN2 3138/4885

“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.