SCHEMBL15534635

SCHEMBL15534635

O=CNc1cccc(C(=O)NC2CCCCCCCCCCCCCC2)c1O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 5/20 0.57
NPC1 O15118 3/20 0.57
KDM4E B2RXH2 3/20 0.57
RAB9A P51151 2/20 0.57
HTT P42858 2/20 0.57
HPGD P15428 1/20 0.57
PKM P14618 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.49
GAA P10253 3/20 0.48
APOBEC3G Q9HC16 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SGMS2 Q8NHU3 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
SCHEMBL15535350 1.00 ALDH1A1 (0.57) ALDH1A1LMNANPC1KDM4ERAB9A
SCHEMBL15476462 1.00 ALDH1A1 (0.57) ALDH1A1LMNANPC1KDM4ERAB9A
SCHEMBL15480774 1.00 ALDH1A1 (0.57) ALDH1A1LMNANPC1KDM4ERAB9A
SCHEMBL15480784 1.00 ALDH1A1 (0.57) ALDH1A1LMNANPC1KDM4ERAB9A
SCHEMBL8515079 1.00 ALDH1A1 (0.57) ALDH1A1LMNANPC1KDM4ERAB9A
SCHEMBL15480781 0.89 TAS1R3 (0.50) ALDH1A1LMNANPC1KDM4ERAB9A
SCHEMBL15534701 0.87 HTR2B (0.50) ALDH1A1LMNANPC1KDM4ERAB9A
SCHEMBL15536636 0.87 HTR2B (0.50) ALDH1A1LMNANPC1KDM4ERAB9A
SCHEMBL15480780 0.87 ALDH1A1 (0.44) ALDH1A1LMNANPC1KDM4ERAB9A
SCHEMBL15536452 0.84 LIPG (0.50) ALDH1A1LMNANPC1KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458174-B2 Inhibitors of the activity of complex (III) of the mitochondrial electron transport chain and use thereof STEMERGIE BIOTECHNOLOGY SA (CH) 2016-10-04 US claimed
US-20150148301-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF Stemergie Biotechnology SA a corporation 2015-05-28 US claimed
EP-2852439-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF Stemergie Biotechnology SA (CH) 2015-04-01 EP claimed
WO-2013174947-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF STEMERGIE BIOTECHNOLOGY SA (CH) 2013-11-28 WO claimed
US-20200188361-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA UNIVERSITE DE MONTREAL (CA) 2020-06-18 US disclosed
US-20190192488-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA Université de Montréal (CA) 2019-06-27 US disclosed
US-9458174-B2 Inhibitors of the activity of complex (III) of the mitochondrial electron transport chain and use thereof STEMERGIE BIOTECHNOLOGY SA (CH) 2016-10-04 US disclosed
US-9458174-B2 Inhibitors of the activity of complex (III) of the mitochondrial electron transport chain and use thereof STEMERGIE BIOTECHNOLOGY SA (CH) 2016-10-04 US disclosed
US-20150148301-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF Stemergie Biotechnology SA a corporation 2015-05-28 US disclosed
US-20150148301-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF Stemergie Biotechnology SA a corporation 2015-05-28 US disclosed
EP-2852439-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF Stemergie Biotechnology SA (CH) 2015-04-01 EP disclosed
WO-2013174947-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF STEMERGIE BIOTECHNOLOGY SA (CH) 2013-11-28 WO disclosed
WO-2013174947-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF STEMERGIE BIOTECHNOLOGY SA (CH) 2013-11-28 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 (3 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-20200188361-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA NPM1, TFAM, NDUFAF1 ALDH1A1 3326/4885LMNA 837/4885NPC1 2898/4885
US-20150148301-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF NDUFB3, MT-CO3, SLC25A1 ALDH1A1 747/4885LMNA 3569/4885NPC1 825/4885
US-20190192488-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA IDH2, TFAM, NUTF2 ALDH1A1 3227/4885LMNA 1148/4885NPC1 2667/4885

“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.