SCHEMBL15535597

SCHEMBL15535597

O=C(NC1CCCCCCCCCCCCCC1)c1ccc2cn[nH]c2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.50
▸ NPC1 O15118 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL15546999 1.00 PTGES (0.50) PTGESNPC1LMNAALDH1A1RAB9A
SCHEMBL28721012 0.99 PTGES (0.48) PTGESNPC1LMNAALDH1A1RAB9A
SCHEMBL14614929 0.83 PTGES (0.59) PTGESNPC1LMNAALDH1A1RAB9A
SCHEMBL15548888 0.83 CD38 (0.39) PTGESBRD4
SCHEMBL26414255 0.74 MEN1 (0.48) PTGESNPC1LMNAALDH1A1RAB9A
SCHEMBL7692327 0.72 EGLN1 (0.57) NPC1LMNAALDH1A1RAB9AHTT
SCHEMBL7685902 0.72 EGLN1 (0.57) NPC1LMNAALDH1A1RAB9AHTT
SCHEMBL28917070 0.72 CDK2 (0.56) PTGESCDK1CCNB1CCNA2CDK2
SCHEMBL6071453 0.72 RAB9A (0.54) PTGESNPC1LMNAALDH1A1RAB9A
SCHEMBL29438449 0.71 SMN1; SMN2 (0.51) NPC1LMNAALDH1A1RAB9AHTT

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 12 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

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 PTGES 4509/4885NPC1 2898/4885LMNA 837/4885
US-20150148301-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF NDUFB3, MT-CO3, SLC25A1 PTGES 771/4885NPC1 825/4885LMNA 3569/4885
US-20190192488-A1 USE OF MITOCHONDRIAL ACTIVITY INHIBITORS FOR THE TREATMENT OF POOR PROGNOSIS ACUTE MYELOID LEUKEMIA IDH2, TFAM, NUTF2 PTGES 4605/4885NPC1 2667/4885LMNA 1148/4885

“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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