SCHEMBL3240480

SCHEMBL3240480

[CH2]c1ccc(CNC(C)c2cccc(CN3CCCC3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.45
NCF1 P14598 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3240182 0.86 NCF1 (0.53) NCF1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3242381 0.85 NCF1 (0.51) NCF1SMN1; SMN2ALDH1A1KDM4ECYP2D6
SCHEMBL8965571 0.79 PRMT6 (0.51) NCF1PRMT6SMN1; SMN2ALDH1A1TDP1
SCHEMBL8088260 0.79 PRMT6 (0.51) NCF1PRMT6SMN1; SMN2ALDH1A1TDP1
SCHEMBL8088259 0.79 PRMT6 (0.51) NCF1PRMT6SMN1; SMN2ALDH1A1TDP1
SCHEMBL3245819 0.77 CHKA (0.53) NCF1PRMT6KDM4E
SCHEMBL4547888 0.75 PRMT6 (0.57) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL27046169 0.74 PRMT6 (0.47) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL1619365 0.74 SMN1; SMN2 (0.58) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E
SCHEMBL1935413 0.73 PRMT6 (0.58) PRMT6SMN1; SMN2ALDH1A1TDP1KDM4E

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 CASR 1729/4885NCF1 1244/4885PRMT6 3989/4885

“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.