SCHEMBL4904483

SCHEMBL4904483

CN(C)P(c1ccc(Br)cc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 6/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
PYCR1 P32322 5/20 0.32
RAB9A P51151 2/20 0.32
MAOB P27338 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL11571612 0.76 ACHE (0.44) ALDH1A1MEN1KMT2ATDP1LMNA
SCHEMBL4797776 0.72 TDP1 (0.45) ALDH1A1TAAR1MEN1KMT2ATDP1
SCHEMBL11916255 0.69 CYP2A6 (0.50) CYP2A6ALDH1A1TAAR1HDAC8TDP1
SCHEMBL3757571 0.67 CYP2A6 (0.57) CYP2A6ALDH1A1TAAR1TDP1ALOX15
SCHEMBL4276353 0.65 CYP2A6 (0.53) CYP2A6ALDH1A1TAAR1TDP1ALOX15
SCHEMBL18508 0.65
SCHEMBL7613197 0.63 CYP2A6 (0.42) CYP2A6ALDH1A1HDAC8TDP1ALOX15
SCHEMBL20560835 0.63 CYP2A6 (0.42) CYP2A6ALDH1A1HDAC8MEN1KMT2A
SCHEMBL7862932 0.63 CYP2A6 (0.42) CYP2A6ALDH1A1TAAR1HDAC8ALOX15
SCHEMBL12440975 0.63 ALDH1A1 (0.68) CYP2A6ALDH1A1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262269-A1 Monodonor Phosphonite Ligands RHODIA UK LIMITED (GB) 2008-10-23 US disclosed
EP-1763399-A1 MONODONOR PHOSPHONITE LIGANDS Rhodia UK Limited (GB) 2007-03-21 EP disclosed
WO-2006003431-A1 MONODONOR PHOSPHONITE LIGANDS RHODIA UK LIMITED (GB) 2006-01-12 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 (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-20080262269-A1 Monodonor Phosphonite Ligands OXER1, OXGR1, CBR1 CYP2A6 427/4885ALDH1A1 142/4885TAAR1 1223/4885

“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.