SCHEMBL10104014

SCHEMBL10104014

[O-][n+]1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.58
APP P05067 1/20 0.58
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
PDE4A P27815 1/20 0.52
NR4A2 P43354 1/20 0.51
PARP10 Q53GL7 1/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAOA P21397 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
SCHEMBL2877136 0.81 MAOB (0.58) MAOBAPPNR4A2NPC1RAB9A
SCHEMBL557817 0.81 LMNA (0.57) MAOBAPPCA12CA1CA2
SCHEMBL3476988 0.81 MAOB (0.61) MAOBMAOA
SCHEMBL18154523 0.80 APP (0.61) MAOBAPPNPC1RAB9A
SCHEMBL17810160 0.80 MMP1 (0.49) MAOBAPPPDE4A
SCHEMBL20848358 0.77 MAOB (0.67) MAOBAPPCA12CA1CA2
SCHEMBL6927496 0.76 MAOB (0.66) MAOBAPPCA12CA1CA2
SCHEMBL18937890 0.76 MAOB (0.71) MAOBAPPCA12CA1CA2
SCHEMBL4380683 0.76 MAOB (0.55) MAOBPDE4A
SCHEMBL132779 0.76 GRM5 (0.39) MAOBAPPPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-20120035102-A9 AZINONE-SUBSTITUTED AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-09 US disclosed
US-20110003739-A1 AZINONE-SUBSTITUTED AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US 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 (3 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-20110003739-A1 AZINONE-SUBSTITUTED AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 MAOB 129/4885APP 3861/4885CA12 4394/4885
US-20120035102-A9 AZINONE-SUBSTITUTED AZABICYCLOALKANE-INDOLE AND AZABICYCLOALKANE-PYRROLO-PYRIDINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 MAOB 129/4885APP 3861/4885CA12 4394/4885
US-20120316200-A1 PYRIDONE DERIVATIVES MC1R, MC5R, MCHR1 MAOB 106/4885APP 2732/4885CA12 4333/4885

“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.