SCHEMBL1898967

SCHEMBL1898967

O=C(ON(O)Cc1ccccc1)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.57
CYP2D6 P10635 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
GMNN O75496 1/20 0.57
TP53 P04637 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL1898458 0.85 PDE5A (0.67) PDE5ACYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL1901059 0.84 PDE5A (0.60) PDE5ACYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL1900992 0.82 PDE5A (0.70) PDE5ACYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL3245414 0.82 F2RL3 (0.67) PDE5ACYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL5374106 0.81 PDE5A (0.68) PDE5ACYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL5378204 0.81 PDE5A (0.62) PDE5ACYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL3205820 0.80 PDE5A (0.58) PDE5ACYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL3077928 0.80 PDE5A (0.70) PDE5ACYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL5372961 0.80 PDE5A (0.67) PDE5ACYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL1898413 0.78 PDE5A (0.67) PDE5ACYP2D6CYP1A2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252156-B1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UCL BUSINESS PLC (GB) 2011-05-04 EP 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 (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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B PDE5A 255/4885CYP2D6 3055/4885CYP1A2 2320/4885

“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.