SCHEMBL3245523

SCHEMBL3245523

[CH2]c1ccc(CN(C)Cc2cccc(CN3CCOCC3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.55
NOS1 P29475 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
PRMT6 Q96LA8 1/20 0.44
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
BRD4 O60885 1/20 0.42
PARP1 P09874 1/20 0.42
PDE4B Q07343 1/20 0.41

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
SCHEMBL3240482 0.88 HRH3 (0.60) HRH3ALDH1A1KDM4ESMN1; SMN2PRMT6
SCHEMBL11196105 0.78 NCF1 (0.83) NCF1NOS1HRH3HTTALDH1A1
SCHEMBL2463951 0.77 NCF1 (0.66) NCF1NOS1HRH3HTTALDH1A1
SCHEMBL3245500 0.77 HRH3 (0.71) NCF1NOS1HRH3ALDH1A1HPGD
SCHEMBL3240187 0.76 HRH3 (0.66) NCF1HRH3ALDH1A1KDM4E
SCHEMBL3242385 0.75 HRH3 (0.68) HRH3ALDH1A1KDM4E
SCHEMBL10235392 0.74 NCF1 (0.71) NCF1NOS1HRH3HTTALDH1A1
SCHEMBL16704825 0.74 NCF1 (0.60) NCF1NOS1HRH3HTTALDH1A1
SCHEMBL3240100 0.73 BCHE (0.60) HRH3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL13959553 0.73 NCF1 (0.60) NCF1NOS1HRH3HTTALDH1A1

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 NCF1 1244/4885NOS1 4427/4885HRH3 2578/4885

“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.