SCHEMBL17732020

SCHEMBL17732020

O=C(Nc1cccc(Cl)c1)c1cc(-c2ccccc2)on1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
RAB9A P51151 2/20 0.74
ATM Q13315 2/20 0.74
ACR P10323 1/20 0.69
POLB P06746 3/20 0.69
MAPT P10636 7/20 0.68
TP53 P04637 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
LMNA P02545 2/20 0.67
THRB P10828 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
GAA P10253 2/20 0.64
MAPK1 P28482 2/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
KDM4E B2RXH2 1/20 0.62

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
SCHEMBL17732000 0.92 NPC1 (0.78) NPC1MEN1KMT2ARAB9AATM
SCHEMBL17731938 0.90 NPC1 (0.74) NPC1MEN1KMT2ARAB9AATM
SCHEMBL17731990 0.88 MAPT (0.71) NPC1MEN1KMT2ARAB9AATM
SCHEMBL17731986 0.88 NPC1 (0.77) NPC1MEN1KMT2ARAB9AATM
SCHEMBL12010959 0.88 RAB9A (0.73) NPC1MEN1KMT2ARAB9AATM
SCHEMBL17731989 0.86 MAPT (0.67) NPC1MEN1KMT2AACRPOLB
SCHEMBL13962651 0.85 ACR (0.60) NPC1MEN1KMT2ARAB9AATM
SCHEMBL17731985 0.83 NPC1 (0.63) NPC1MEN1KMT2ARAB9AATM
SCHEMBL17732037 0.83 KMT2A (0.67) NPC1MEN1KMT2ARAB9AATM
SCHEMBL17732019 0.83 MAPT (0.66) NPC1MEN1KMT2ARAB9AATM

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 NPC1 299/4885MEN1 3043/4885KMT2A 4536/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 NPC1 299/4885MEN1 3043/4885KMT2A 4536/4885
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 NPC1 299/4885MEN1 3043/4885KMT2A 4536/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 NPC1 299/4885MEN1 3043/4885KMT2A 4536/4885

“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.