SCHEMBL3069801

SCHEMBL3069801

O=Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL5563910 0.80 PDE5A (0.59) PDE5ACYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL1225203 0.75 CNR1 (0.54) PDE5ACYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL14571795 0.75 PDE5A (0.46) PDE5ACYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL3621787 0.74 ALDH1A1 (0.67) PDE5ACYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL16160274 0.74 ALDH1A1 (0.51) PDE5ACYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL3072072 0.73 PDE5A (0.67) PDE5ACYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL5313276 0.73 PDE5A (0.48) PDE5ACYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL5358145 0.73 SIRT2 (0.52) CYP1A2CYP2D6CYP3A4ALDH1A1MAPT
SCHEMBL5565013 0.72 PDE5A (0.54) PDE5ACYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL5565456 0.71 PDE5A (0.55) PDE5ACYP1A2CYP2D6KDM4ECYP3A4

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 2320/4885CYP2D6 3055/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C PDE5A 250/4885CYP1A2 2317/4885CYP2D6 3045/4885

“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.