SCHEMBL2234102

SCHEMBL2234102

COC(=O)C1CN(Cc2cccc([N+](=O)[O-])c2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 3/20 0.54
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SIGMAR1 Q99720 1/20 0.52
HTT P42858 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48

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
SCHEMBL2685380 0.81 MAPT (0.43) ALDH1A1KDM4EMAPK1LMNASMN1; SMN2
SCHEMBL1790257 0.81 MEN1 (0.59) ALDH1A1KDM4ETDP1MAPK1LMNA
SCHEMBL12319525 0.81 MEN1 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2274576 0.81 S1PR1 (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10077194 0.81 MAOB (0.56) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL1601657 0.81 FAAH (0.51) ALDH1A1KDM4ETDP1SMN1; SMN2POLB
SCHEMBL6616917 0.80 S1PR5 (0.60) ALDH1A1KDM4EMAPTNPSR1
SCHEMBL18300934 0.79 MEN1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28607338 0.78 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1MAPK1LMNA
SCHEMBL7859148 0.78 ALDH1A1 (0.69) ALDH1A1KDM4ETDP1MAPK1LMNA

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
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP disclosed
WO-2011095452-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-11 WO disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 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 (1 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-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 ALDH1A1 1115/4885KDM4E 496/4885TDP1 3896/4885

“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.