SCHEMBL3077901

SCHEMBL3077901

COCCNC(=O)c1ccccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
POLB P06746 2/20 0.67
MAPK1 P28482 1/20 0.65
NAAA Q02083 1/20 0.62
HPGD P15428 5/20 0.58
ALDH1A1 P00352 3/20 0.58
HSD17B10 Q99714 3/20 0.58
TSHR P16473 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NLRP1 Q9C000 1/20 0.58
LMNA P02545 2/20 0.56
ALPL P05186 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
KDM4E B2RXH2 2/20 0.56

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
SCHEMBL9185241 0.90 NAAA (0.68) KMT2AMEN1POLBMAPK1NAAA
SCHEMBL17748294 0.88 ALOX5 (0.68) KMT2AMEN1POLBMAPK1NAAA
SCHEMBL5707054 0.85 HTT (0.69) KMT2AMEN1POLBNAAAHPGD
SCHEMBL31119121 0.85 HTT (0.69) KMT2AMEN1POLBNAAAHPGD
SCHEMBL31119120 0.85 HTT (0.69) KMT2AMEN1POLBNAAAHPGD
SCHEMBL8346286 0.83 HTT (0.67) KMT2AMEN1POLBNAAAHPGD
Hydrochloric Acid SCHEMBL15769882 0.83 HTT (0.67) KMT2AMEN1POLBNAAAHPGD
SCHEMBL9638797 0.83 MEN1 (0.59) KMT2AMEN1POLBMAPK1NAAA
SCHEMBL13161949 0.83 HPGD (0.65) KMT2AMEN1POLBMAPK1HPGD
SCHEMBL1238119 0.82 NAAA (0.76) KMT2AMEN1POLBNAAAHPGD

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 8 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-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
US-5458661-A MIXTURE OF HYDROCARBONS IN THE GASOLINE BOILING RANGE AND AN AROMATIC AMIDE CONTAINING PHENOL ALKOXYLATE SHELL OIL COMPANY (US) 1995-10-17 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-20090012055-A1 Organic compounds REN, ACE, ACE2 KMT2A 3839/4885MEN1 2817/4885POLB 1031/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KMT2A 3839/4885MEN1 2817/4885POLB 1031/4885

“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.