SCHEMBL8265233

SCHEMBL8265233

CC(=O)Nc1cc(NC2CC2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
PYGL P06737 1/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
RORC P51449 1/20 0.46
EPHX1 P07099 1/20 0.42
NAMPT P43490 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKCA P17252 1/20 0.41
GRK2 P25098 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL3791892 0.82 ALDH1A1 (0.60) ALDH1A1PYGLKMT2AMEN1MAPT
SCHEMBL8265346 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL31619870 0.77 CRBN (0.51)
SCHEMBL89147 0.76 POLB (0.60) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL89901 0.76 MEN1 (0.56) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL13618139 0.75 P2RX7 (0.46) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL4529690 0.74 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL2388970 0.73 EPHX1 (0.70) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL11636304 0.73 ALDH1A1 (0.58) ALDH1A1PYGLKMT2AMEN1KDM4E
SCHEMBL8919414 0.72 HTT (0.54) ALDH1A1PYGLKMT2APOLBRORC

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-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (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-20110263560-A1 Organic Compounds REN, ACE, OTC ALDH1A1 21/4885PYGL 410/4885KMT2A 2850/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO ALDH1A1 36/4885PYGL 244/4885KMT2A 3979/4885

“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.