SCHEMBL17731968

SCHEMBL17731968

O=C(Nc1ccc(F)cc1F)c1cc(-c2ccccc2)on1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.80
HSD17B10 Q99714 2/20 0.70
GAA P10253 1/20 0.70
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 4/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
POLB P06746 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 1/20 0.63
STAT3 P40763 1/20 0.62
STAT1 P42224 1/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 1/20 0.57
TP53 P04637 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL16486178 0.84 NPC1 (0.74) THRBHSD17B10GAAMEN1KMT2A
SCHEMBL17318639 0.82 HSD17B10 (1.00) THRBHSD17B10GAAMEN1KMT2A
SCHEMBL4286601 0.81 RAB9A (0.67) THRBHSD17B10GAAMEN1KMT2A
SCHEMBL13902149 0.79 STAT3 (0.68) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL24773667 0.77 ACR (0.71) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL17731892 0.77 KMT2A (0.84) THRBMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL28336364 0.77 LMNA (0.60) THRBHSD17B10GAAMEN1KMT2A
SCHEMBL17732031 0.76 SMN1; SMN2 (0.76) THRBHSD17B10GAAMEN1KMT2A
SCHEMBL6818030 0.76 MEN1 (0.66) THRBMEN1KMT2ANPC1ALDH1A1
SCHEMBL6835638 0.76 STAT3 (0.58) MEN1KMT2ANPC1RAB9AALDH1A1

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 THRB 3658/4885HSD17B10 1056/4885GAA 2047/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 THRB 3658/4885HSD17B10 1056/4885GAA 2047/4885
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 THRB 3658/4885HSD17B10 1056/4885GAA 2047/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 THRB 3658/4885HSD17B10 1056/4885GAA 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.