SCHEMBL3069411

SCHEMBL3069411

Fc1ccc(Cn2nc(-c3ccc(C4OCCCO4)o3)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.51
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL6011446 0.89 PDE5A (0.52) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL3064780 0.87 PDE5A (0.63) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL3075014 0.81 CYP1A2 (0.48) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL3064611 0.77 BUB1 (0.43) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL5565117 0.76 PDE5A (0.82) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL3076502 0.75 PDE5A (0.56) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL13865228 0.70 CNR1 (0.47) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL5311492 0.70 CYP2D6 (0.47) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL17199435 0.69 PDE5A (0.81) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2
SCHEMBL1900992 0.69 PDE5A (0.70) PDE5ACYP1A2CYP3A4CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 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 (2 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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B PDE5A 255/4885CYP1A2 2320/4885CYP3A4 1542/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C PDE5A 250/4885CYP1A2 2317/4885CYP3A4 1590/4885

“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.