SCHEMBL3073968

SCHEMBL3073968

ON=Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.64
CYP3A4 P08684 4/20 0.64
HPGD P15428 2/20 0.64
GFER P55789 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
NPC1 O15118 1/20 0.64
GMNN O75496 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
RAB9A P51151 1/20 0.64

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
SCHEMBL3077590 1.00 PDE5A (0.64) PDE5ACYP3A4HPGDGFERSMN1; SMN2
SCHEMBL3058630 0.85 PDE5A (0.69) PDE5ACYP3A4HPGDGFERSMN1; SMN2
SCHEMBL3058632 0.85 PDE5A (0.69) PDE5ACYP3A4HPGDGFERSMN1; SMN2
SCHEMBL3072072 0.84 PDE5A (0.67) PDE5ACYP3A4HPGDGFERSMN1; SMN2
SCHEMBL5004337 0.79 PDE5A (0.82) PDE5ACYP3A4HPGDGFERSMN1; SMN2
SCHEMBL1900992 0.78 PDE5A (0.70) PDE5ACYP3A4HPGDGFERSMN1; SMN2
SCHEMBL187837 0.78 PDE5A (1.00) PDE5ACYP3A4HPGDGFERSMN1; SMN2
SCHEMBL29352550 0.78 PDE5A (1.00) PDE5ACYP3A4HPGDGFERSMN1; SMN2
SCHEMBL5564260 0.78 PDE5A (1.00) PDE5ACYP3A4HPGDGFERSMN1; SMN2
SCHEMBL5374106 0.77 PDE5A (0.68) PDE5ACYP3A4HPGDGFERSMN1; 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 255/4885CYP3A4 1542/4885HPGD 1030/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C PDE5A 250/4885CYP3A4 1590/4885HPGD 800/4885

“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.