SCHEMBL3501194

SCHEMBL3501194

Nc1ncccc1OCc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.73
MAPK14 Q16539 1/20 0.73
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
HTT P42858 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MAPT P10636 3/20 0.70
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PPIA P62937 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ROCK1 Q13464 1/20 0.46
MAOB P27338 1/20 0.45
MAPK1 P28482 1/20 0.45
MPO P05164 1/20 0.45

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
SCHEMBL23631385 0.86 LTA4H (0.77) LTA4HMAPK14NPC1RAB9AHTT
SCHEMBL6079578 0.85 LTA4H (0.75) LTA4HMAPK14NPC1RAB9AHTT
SCHEMBL105010 0.84 LTA4H (1.00) LTA4HMAPK14NPC1RAB9AHTT
SCHEMBL9125591 0.83 LTA4H (0.73) LTA4HMAPK14NPC1RAB9AHTT
SCHEMBL10560686 0.83 LTA4H (0.73) LTA4HMAPK14NPC1RAB9AHTT
Bromide SCHEMBL5755659 0.83 LTA4H (0.96) LTA4HMAPK14NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL2655772 0.83 LTA4H (0.96) LTA4HMAPK14NPC1RAB9AHTT
SCHEMBL6079949 0.83 NPC1 (0.69) LTA4HMAPK14NPC1RAB9AHTT
SCHEMBL12474035 0.83 NPC1 (0.67) LTA4HMAPK14NPC1RAB9AHTT
SCHEMBL9116755 0.83 NPC1 (1.00) LTA4HMAPK14NPC1RAB9AHTT

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
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP disclosed
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed
EP-0033094-B1 IMIDAZO(1,2-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-10-10 EP disclosed
US-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 US disclosed
EP-0033094-A1 Imidazo(1,2-a)pyridines, processes for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1981-08-05 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 (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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 LTA4H 1788/4885MAPK14 611/4885NPC1 1622/4885

“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.