SCHEMBL3233011

SCHEMBL3233011

[CH2]c1ccc(CN(C)Cc2cccc(-c3cccnc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
CYP2A6 P11509 3/20 0.44
LMNA P02545 1/20 0.43
PSMB5 P28074 2/20 0.43
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MEN1 O00255 1/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MAPK1 P28482 1/20 0.42
BACE1 P56817 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CETP P11597 1/20 0.39

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
SCHEMBL3243661 0.88 PSMB5 (0.42) EPHX2PRMT6CHRNB2CHRNA4PSMB5
SCHEMBL3245741 0.86 PRKCI (0.50) PRMT6CYP11B1CYP11B2CYP3A4
SCHEMBL3239914 0.84 CHRNB2 (0.67) CHRNB2CHRNA4LMNAMAPK1ALDH1A1
SCHEMBL3245933 0.81 CLK4 (0.40) BACE1ALDH1A1CETPCYP2D6CYP2C19
SCHEMBL30093157 0.76 CHRNB2 (0.79) CHRNB2CHRNA4LMNAMAPK1ALDH1A1
SCHEMBL30866167 0.73 EPHX2 (0.63) EPHX2PRMT6CYP2A6LMNAMKNK1
SCHEMBL4163500 0.73 EPHX2 (0.63) EPHX2PRMT6CYP2A6LMNAMKNK1
SCHEMBL2759632 0.73 EPHX2 (0.68) EPHX2PRMT6CYP2A6MKNK1MKNK2
SCHEMBL19147333 0.72 EPHX2 (0.58) EPHX2PRMT6CYP2A6MKNK1MKNK2
SCHEMBL3245740 0.72 HRH3 (0.42) PRMT6CHRNB2CHRNA4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 EPHX2 1245/4885PRMT6 3989/4885CHRNB2 3688/4885

“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.