SCHEMBL1367533

SCHEMBL1367533

O=C(CBr)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.64
ESR2 Q92731 5/20 0.64
PKM P14618 1/20 0.47
ABHD6 Q9BV23 3/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC8 Q9BY41 2/20 0.46
PTPN1 P18031 1/20 0.40
GSK3B P49841 1/20 0.40
MCHR1 Q99705 1/20 0.39
NR1H2 P55055 1/20 0.38
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL1367390 0.87 ESR1 (0.64) ESR1ESR2PKMABHD6HDAC6
SCHEMBL3292015 0.87 ESR1 (0.64) ESR1ESR2PKMABHD6HDAC6
Hydrochloric Acid SCHEMBL6193455 0.85 ESR1 (0.61) ESR1ESR2PKMABHD6HDAC6
SCHEMBL5418343 0.85 ESR1 (0.61) ESR1ESR2PKMABHD6HDAC6
SCHEMBL14101079 0.84 ESR1 (0.70) ESR1ESR2PKMABHD6HDAC6
SCHEMBL31670429 0.83 ESR1 (0.68) ESR1ESR2PKMABHD6HDAC6
SCHEMBL4704441 0.83 ESR1 (0.68) ESR1ESR2PKMABHD6HDAC6
SCHEMBL28631452 0.82 ESR1 (0.57) ESR1ESR2PKMABHD6HDAC6
SCHEMBL31670393 0.82 ESR1 (0.67) ESR1ESR2PKMABHD6HDAC6
SCHEMBL5578264 0.81 ESR1 (0.49) ESR1ESR2HDAC6MCHR1

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
EP-2069327-B1 NEW PYRIDONE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
US-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
EP-2383259-A1 New pyridone derivatives with MCH antagonistic activity and medicaments comprising these compounds Boehringer Ingelheim International GmbH (DE) 2011-11-02 EP disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 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 (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-20120010185-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ESR1 2249/4885ESR2 1432/4885PKM 230/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ESR1 2249/4885ESR2 1432/4885PKM 230/4885

“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.