SCHEMBL8265459

SCHEMBL8265459

COCCCOc1cc(C)c(F)c(CNC2CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
PABPC1 P11940 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL89589 0.88 KDM4E (0.38) KDM4EHTTMEN1GAAKMT2A
SCHEMBL8265718 0.86 MEN1 (0.43) KDM4EHTTMEN1GAAKMT2A
SCHEMBL13618277 0.81 CNR1 (0.37) KDM4EHTTMEN1GAAKMT2A
SCHEMBL2808851 0.78 KDM4E (0.36) KDM4EHTTMEN1GAAKMT2A
SCHEMBL2810252 0.75 ALDH1A1 (0.37) KDM4EHTTMEN1GAAKMT2A
SCHEMBL12642796 0.75 KDM4E (0.40) KDM4EHTTMEN1GAAKMT2A
SCHEMBL89233 0.73 ALDH1A1 (0.66) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL13132346 0.73 MEN1 (0.51) KDM4EHTTMEN1GAAKMT2A
SCHEMBL1071897 0.73 KDM4E (0.36) KDM4EHTTMEN1GAAKMT2A
SCHEMBL89319 0.72 ALDH1A1 (0.49) KDM4EMEN1GAAKMT2AALDH1A1

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 10 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-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
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
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 KDM4E 1140/4885HTT 1273/4885MEN1 2812/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO KDM4E 2265/4885HTT 1746/4885MEN1 2792/4885

“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.