SCHEMBL3590769

SCHEMBL3590769

O=C(O)c1ccc(OCc2cscn2)cc1F.[LiH]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.46
MAOA P21397 1/20 0.44
PKM P14618 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
ALOX5 P09917 2/20 0.39
MET P08581 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
ALOX5AP P20292 1/20 0.39
SCD O00767 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39

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
Lithium Ion SCHEMBL3590770 0.86 MAOB (0.42) MAOBMAOAPKMNOX1PARP15
SCHEMBL3583451 0.85 MAOB (0.44) MAOBMAOAPKMNOX1PARP10
SCHEMBL3274391 0.78 PARP10 (0.52) MAOBMAOANOX1MRGPRX4PARP15
SCHEMBL16621263 0.76 NR4A2 (0.53) PKMALOX5
SCHEMBL4318791 0.76 PARP10 (0.53) MAOBMAOANOX1MRGPRX4PARP15
Lithium SCHEMBL3274398 0.75 PARP10 (0.52) MAOBMAOANOX1MRGPRX4PARP15
SCHEMBL2997270 0.75 MAOB (0.62) MAOBMAOANOX1MRGPRX4PARP15
SCHEMBL24302655 0.75 ALDH1A1 (0.40) MAOBPKMPARP15PARP10ALOX5
Hydrochloric Acid SCHEMBL9015457 0.74 MAOB (0.61) MAOBMAOANOX1MRGPRX4PARP15
SCHEMBL4422282 0.74 MAOB (0.78) MAOBMAOAPARP15PARP10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846950-B2 Histamine H3 receptor inhibitors, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-1805169-B1 HISTAMINE H3 RECEPTOR INHIBITORS, THEIR PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2008-12-24 EP disclosed
US-20080015235-A1 Histamine H3 Receptor Inhibitors, Preparation and Therapeutic Uses JESUDASON CYNTHIA D 2008-01-17 US disclosed
EP-1805169-A1 HISTAMINE H3 RECEPTOR INHIBITORS, THEIR PREPARATION AND THERAPEUTIC USES Eli Lilly and Company (US) 2007-07-11 EP disclosed
WO-2006044228-A1 HISTAMINE H3 RECEPTOR INHIBITORS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-04-27 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-20080015235-A1 Histamine H3 Receptor Inhibitors, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 MAOB 618/4885MAOA 832/4885PKM 2789/4885

“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.