SCHEMBL15535482

SCHEMBL15535482

Oc1c(Cl)cc(Cl)cc1CNC1CCCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.58
▸ CYP2D6 P10635 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ GAA P10253 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HPGD P15428 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALPL P05186 1/20 0.44

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
SCHEMBL11591816 0.86 CYP1A2 (0.46) PABPC1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL11591819 0.86 CYP1A2 (0.46) PABPC1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL11591845 0.84 PABPC1 (0.41) PABPC1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL11591849 0.84 PABPC1 (0.41) PABPC1CYP2D6CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28918879 0.78 PABPC1 (0.46) PABPC1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL16795194 0.76 PABPC1 (0.65) PABPC1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL10356919 0.76 HSP90AA1 (0.44) CYP2D6CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL21945698 0.74 PABPC1 (1.00) PABPC1CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL16155868 0.74 CYP3A4 (0.54) CYP2D6CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL16795365 0.73 PABPC1 (0.65) PABPC1CYP2D6CYP1A2CYP2C9CYP2C19

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
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 (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-20150148301-A1 INHIBITORS OF THE ACTIVITY OF COMPLEX (III) OF THE MITOCHONDRIAL ELECTRON TRANSPORT CHAIN AND USE THEREOF NDUFB3, MT-CO3, SLC25A1 PABPC1 1854/4885CYP2D6 602/4885CYP1A2 452/4885

“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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