SCHEMBL2535686

SCHEMBL2535686

COC(=O)N(C)c1[c]cccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALOX15 P16050 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.33
BCHE P06276 2/20 0.33
GLA P06280 2/20 0.33
ACHE P22303 2/20 0.33
MAPK1 P28482 1/20 0.33
NCEH1 Q6PIU2 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KCNN4 O15554 1/20 0.32

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
SCHEMBL8668359 0.81 PAX8 (0.40) TSHRL3MBTL1ALDH1A1NPSR1HSD17B10
SCHEMBL2533555 0.81 LMNA (0.41) TSHRL3MBTL1ALDH1A1MAPTNPSR1
SCHEMBL2536241 0.81 LMNA (0.41) TSHRL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL16294301 0.79 RAB9A (0.36) HPGDNPSR1KMT2AMEN1NPC1
SCHEMBL95841 0.79 ALDH1A1 (0.39) TSHRALOX15ALDH1A1MAPTHSD17B10
SCHEMBL2533235 0.79 ALDH1A1 (0.44) TSHRL3MBTL1ALDH1A1HPGDLMNA
SCHEMBL1416613 0.79 ROCK2 (0.35) L3MBTL1ALDH1A1KMT2ALMNAPKM
SCHEMBL2540142 0.78 ALDH1A1 (0.40) TSHRALOX15L3MBTL1ALDH1A1MAPT
SCHEMBL1416233 0.78 ALOX5 (0.34) TSHRL3MBTL1ALDH1A1MAPTHSD17B10
SCHEMBL8668409 0.78 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTHPGDKMT2A

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-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 TSHR 226/4885ALOX15 1450/4885L3MBTL1 3929/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 TSHR 223/4885ALOX15 1059/4885L3MBTL1 3687/4885

“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.