SCHEMBL17731986

SCHEMBL17731986

Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.77
RAB9A P51151 5/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
ATM Q13315 1/20 0.77
MAPT P10636 7/20 0.76
TP53 P04637 5/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
CACNA1B Q00975 1/20 0.76
APBA1 Q02410 1/20 0.76
ACR P10323 2/20 0.69
POLB P06746 3/20 0.67
LMNA P02545 2/20 0.67
RXFP1 Q9HBX9 2/20 0.67
THRB P10828 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MAPK1 P28482 2/20 0.63
NFKB1 P19838 1/20 0.63

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 0.91 NPC1 (0.78) NPC1RAB9AMEN1KMT2AATM
SCHEMBL17731938 0.89 NPC1 (0.74) NPC1RAB9AMEN1KMT2AATM
SCHEMBL17732020 0.88 NPC1 (0.74) NPC1RAB9AMEN1KMT2AATM
SCHEMBL16486042 0.88 NPC1 (0.77) NPC1RAB9AMEN1KMT2AATM
SCHEMBL12010959 0.88 RAB9A (0.73) NPC1RAB9AMEN1KMT2AATM
SCHEMBL16486346 0.86 NPC1 (1.00) NPC1RAB9AMEN1KMT2AATM
SCHEMBL27101119 0.86 NPC1 (0.67) NPC1RAB9AMEN1KMT2AATM
SCHEMBL17731990 0.82 MAPT (0.71) NPC1RAB9AMEN1KMT2AATM
SCHEMBL17740369 0.82 MAPT (0.79) NPC1RAB9AMEN1KMT2AATM
SCHEMBL20435882 0.82 MEN1 (0.78) NPC1RAB9AMEN1KMT2AATM

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 299/4885RAB9A 1640/4885MEN1 3043/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 NPC1 299/4885RAB9A 1640/4885MEN1 3043/4885
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 NPC1 299/4885RAB9A 1640/4885MEN1 3043/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 NPC1 299/4885RAB9A 1640/4885MEN1 3043/4885

“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.