SCHEMBL16742379

SCHEMBL16742379

CCCCCCONc1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HDAC3 O15379 4/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC2 Q92769 3/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ TSHR P16473 3/20 0.41
▸ TLR8 Q9NR97 2/20 0.39

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
SCHEMBL27841531 0.86 CYP1A2 (0.43) ALDH1A1HSD17B10KDM4EPOLBCYP1A2
SCHEMBL28007486 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EPOLBCYP1A2
SCHEMBL27345980 0.80 POLB (0.45) ALDH1A1HSD17B10KDM4EPOLBHDAC3
SCHEMBL28310687 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHDAC3HDAC1HDAC2
SCHEMBL28058630 0.79 LIPG (0.47) ALDH1A1TSHRLMNA
SCHEMBL11699661 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ECYP1A2CYP2C9
SCHEMBL8756694 0.78 KDM4E (0.49) ALDH1A1HSD17B10KDM4ECYP2C9HDAC3
SCHEMBL15486326 0.75 KDM4E (0.47) ALDH1A1HSD17B10KDM4ECYP2C9HDAC3
SCHEMBL3523840 0.75 LTA4H (0.46) ALDH1A1TSHRLMNACYP3A4NR1I2
SCHEMBL9169265 0.75 LTA4H (0.46) ALDH1A1TSHRLMNACYP3A4NR1I2

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 8 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-3071582-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS Medical Research Council (GB) 2016-09-28 — — EP disclosed
CN-105873936-A Mitochondrially targeted dicarbonyl chelate compounds 医药研究委员会 2016-08-17 — — CN disclosed
WO-2015075200-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS MEDICAL RESEARCH COUNCIL (GB) 2015-05-28 — — 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 ALDH1A1 488/4885HSD17B10 314/4885KDM4E 3365/4885

“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.

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