SCHEMBL6606988

SCHEMBL6606988

CCCCCCOc1ccc(N)c(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
NR5A1 Q13285 1/20 0.55
TP53 P04637 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LTA4H P09960 2/20 0.49
PLA2G4B P0C869 1/20 0.47
HTR1A P08908 5/20 0.47
HTR1D P28221 5/20 0.47
HTR1B P28222 5/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9448760 1.00 TSHR (0.62) TSHRNR5A1TP53MAPTNPC1
SCHEMBL10430132 0.98 TSHR (0.59) TSHRNR5A1TP53MAPTNPC1
SCHEMBL30646245 0.94 TSHR (0.53) TSHRNR5A1MAPTNPC1GAA
SCHEMBL11655575 0.94 TSHR (0.53) TSHRNR5A1MAPTNPC1GAA
SCHEMBL10017622 0.89 AHR (0.56) TSHRNR5A1
SCHEMBL10017621 0.88 TSHR (0.50) TSHRNR5A1TP53MAPTNPC1
SCHEMBL15803811 0.88 AHR (0.55) TSHRNR5A1
SCHEMBL11246033 0.86 MAPT (0.60) TSHRTP53MAPTNPC1LMNA
SCHEMBL30167072 0.86 MAPT (0.60) TSHRTP53MAPTNPC1LMNA
SCHEMBL21694045 0.86 TSHR (0.58) TSHRNR5A1TP53MAPTNPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071582-B1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS RES & INNOVATION UK (GB) 2020-04-29 EP disclosed
EP-3623375-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS United Kingdom Research and Innovation (GB) 2020-03-18 EP disclosed
CN-105873936-B Mitochondrially targeted dicarbonyl chelate compounds 医药研究委员会 2018-09-14 CN disclosed
US-9963474-B2 Mitochondria-targeted dicarbonyl sequestering compounds MEDICAL RESEARCH COUNCIL (GB) 2018-05-08 US disclosed
US-20160289252-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2016-10-06 US disclosed
EP-1404321-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES Schering Aktiengesellschaft (DE) 2004-04-07 EP disclosed
WO-2003004023-A1 1-ALKYL-2-ARYL-BENZIMIDAZOLE DERIVATIVES, THEIR USE FOR PRODUCING MEDICAMENTS AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-16 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 (1 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-20160289252-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS NDUFAB1, HADHB, SLC25A21 TSHR 4298/4885NR5A1 1967/4885TP53 1925/4885

“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.