SCHEMBL17732006

SCHEMBL17732006

CCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
KMT2A Q03164 2/20 0.72
MEN1 O00255 1/20 0.72
TP53 P04637 4/20 0.58
CYP3A4 P08684 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.52
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
GLA P06280 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL5517147 0.83 TSHR (0.71) TSHRKMT2AMEN1TP53SMN1; SMN2
SCHEMBL6170159 0.78 TSHR (0.64) TSHRKMT2AMEN1TP53CYP3A4
SCHEMBL31743110 0.75 TSHR (0.59) TSHRKMT2AMEN1HPGDALDH1A1
SCHEMBL11325178 0.74 TSHR (0.58) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL3145081 0.74 TSHR (0.58) TSHRKMT2AMEN1TP53CYP3A4
SCHEMBL2183787 0.74 TP53 (1.00) TSHRKMT2AMEN1TP53CYP3A4
SCHEMBL10075542 0.73 TSHR (0.58) TSHRKMT2AMEN1TP53SMN1; SMN2
SCHEMBL48961 0.73 MRGPRX4 (0.64) TSHRKMT2AMEN1TP53HPGD
SCHEMBL30100412 0.73 MRGPRX4 (0.64) TSHRKMT2AMEN1TP53HPGD
SCHEMBL14825160 0.73 ALDH1A1 (0.60) TSHRKMT2AMEN1ALDH1A1MAPT

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 6 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-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-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

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 TSHR 3992/4885KMT2A 4536/4885MEN1 3043/4885
US-20220396547-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 TSHR 3992/4885KMT2A 4536/4885MEN1 3043/4885
US-20180282264-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 TSHR 3992/4885KMT2A 4536/4885MEN1 3043/4885
US-10865181-B2 Small molecule inhibitors of the mitochondrial permeability transition pore (mtPTP) MTCH2, TIMM50, TIMM10 TSHR 3992/4885KMT2A 4536/4885MEN1 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.