SCHEMBL3071027

SCHEMBL3071027

COCCC(=O)Nc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
MAPT P10636 3/20 0.56
GAA P10253 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51

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
SCHEMBL10711825 0.83 RAB9A (0.70) RAB9AMAPTNPC1ALDH1A1HPGD
SCHEMBL27144018 0.83 TSHR (0.70) RAB9AMAPTGAAMEN1KMT2A
SCHEMBL29721986 0.81 MAPK1 (0.69) RAB9AMAPTGAAMEN1KMT2A
SCHEMBL5536448 0.81 MAPK1 (0.69) RAB9AMAPTGAAMEN1KMT2A
SCHEMBL31155859 0.81 ALDH1A1 (0.56) RAB9AMAPTGAAMEN1KMT2A
SCHEMBL20840643 0.81 KMT2A (0.60) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL9360758 0.81 KMT2A (0.73) MAPTGAAKMT2AALDH1A1SMN1; SMN2
SCHEMBL3583362 0.80 HDAC3 (0.57) RAB9AMAPTGAAMEN1KMT2A
SCHEMBL8162206 0.80 HDAC3 (0.57) RAB9AMAPTGAAMEN1KMT2A
SCHEMBL3223491 0.79 KDM1A (0.60) RAB9AMAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 RAB9A 1066/4885MAPT 2397/4885GAA 92/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 RAB9A 1066/4885MAPT 2397/4885GAA 92/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A RAB9A 1874/4885MAPT 4589/4885GAA 665/4885

“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.