SCHEMBL1470136

SCHEMBL1470136

O=[N+]([O-])c1ccc(O)c(CCO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
GPR35 Q9HC97 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
CTSB P07858 1/20 0.52
ERN1 O75460 1/20 0.50
NOX4 Q9NPH5 1/20 0.48
CYP1A2 P05177 1/20 0.46
APP P05067 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PABPC1 P11940 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 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
SCHEMBL27496676 0.86 TSHR (0.55) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL6295397 0.85 TSHR (0.58) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL216753 0.85 GPR35 (0.58) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL28013151 0.84 GPR35 (0.53) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL27463698 0.84 SMN1; SMN2 (0.53) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL19742690 0.84 GPR35 (0.53) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL8709893 0.84 THRB (0.56) TSHRGPR35ALDH1A1TP53HPGD
Hydrochloric Acid SCHEMBL22773531 0.84 GPR35 (0.56) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL17653483 0.83 GPR35 (0.49) TSHRGPR35ALDH1A1TP53HPGD
SCHEMBL51277 0.83 GPR35 (0.60) TSHRGPR35ALDH1A1TP53HPGD

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
CN-104428286-B Indole carboxamides derivant 安斯泰来制药株式会社 2017-03-08 CN disclosed
US-8513232-B2 Substituted spirocyclic piperidine derivatives as histamine-3 (H3) receptor ligands CEPHALON, INC. (US) 2013-08-20 US disclosed
EP-2250176-B1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON INC (US) 2012-08-01 EP disclosed
US-20110071131-A1 Substituted Spirocyclic Piperidine Derivatives as Histamine-3 (H3) Receptor Ligands CEPHALON, INC. (US) 2011-03-24 US disclosed
EP-2250176-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS Cephalon, Inc. (US) 2010-11-17 EP disclosed
WO-2009097567-A1 SUBSTITUTED SPIROCYCLIC PIPERIDINE DERIVATIVES AS HISTAMINE-3 (H3) RECEPTOR LIGANDS CEPHALON, INC. (US) 2009-08-06 WO disclosed
EP-0182187-A1 Oxidative dyestuff compositions for dyeing the hair, consisting of 4-amino-2-hydroxyalkyl phenols Wella Aktiengesellschaft (DE) 1986-05-28 EP disclosed
WO-1986002829-A1 OXIDATION-TYPE HAIR-DYEING MEANS BASED ON 4-AMINO-2-HYDROXYALKYL-PHENOLS WELLA AKTIENGESELLSCHAFT (DE) 1986-05-22 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-20110071131-A1 Substituted Spirocyclic Piperidine Derivatives as Histamine-3 (H3) Receptor Ligands HRH3, HRH4, HRH2 TSHR 324/4885GPR35 82/4885ALDH1A1 1237/4885

“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.