SCHEMBL1365401

SCHEMBL1365401

O=c1c(Cl)c(O)cnn1C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
CYP4F2 P78329 4/20 0.42
CYP4A11 Q02928 4/20 0.42
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CNR2 P34972 2/20 0.38
YTHDC1 Q96MU7 1/20 0.35
MITF O75030 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL1008524 0.85 ALDH1A1 (0.48) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL13267231 0.83 ALDH1A1 (0.46) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL31104515 0.83 ALDH1A1 (0.46) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL31386712 0.80 ALDH1A1 (0.41) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL8740243 0.80 ALDH1A1 (0.43) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL30268685 0.80 RAB9A (0.44) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL20817952 0.79 ALDH1A1 (0.42) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL25342197 0.78 RXRA (0.41) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL20818486 0.78 ALDH1A1 (0.40) ALDH1A1LMNAPOLBCYP4F2CYP4A11
SCHEMBL31104535 0.78 CNR2 (0.54) ALDH1A1LMNAPOLBCYP4F2CYP4A11

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 6 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
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO 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 ALDH1A1 3225/4885LMNA 2295/4885POLB 3825/4885
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 ALDH1A1 3225/4885LMNA 2295/4885POLB 3825/4885

“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.