SCHEMBL3077928

SCHEMBL3077928

CC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.70
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
CYP2D6 P10635 3/20 0.67
RAB9A P51151 3/20 0.67
HPGD P15428 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
HSD17B10 Q99714 2/20 0.67
NPC1 O15118 2/20 0.67
LMNA P02545 2/20 0.67
MAPT P10636 2/20 0.67
GMNN O75496 1/20 0.67
TP53 P04637 1/20 0.67
CYP2C9 P11712 1/20 0.67
ALOX15 P16050 1/20 0.67
NFKB1 P19838 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67

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
SCHEMBL1900992 0.90 PDE5A (0.70) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL5374106 0.89 PDE5A (0.68) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL1898458 0.88 PDE5A (0.67) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL5372961 0.88 PDE5A (0.67) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL5365656 0.87 PDE5A (0.65) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL1898413 0.86 PDE5A (0.67) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL3245414 0.85 F2RL3 (0.67) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL5374463 0.85 PDE5A (0.63) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL5370971 0.84 PDE5A (0.61) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6
SCHEMBL5368291 0.84 PDE5A (0.62) PDE5AKDM4EALDH1A1SMN1; SMN2CYP2D6

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 14 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
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO claimed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
WO-2007065010-A2 ANTI-ANGIOGENESIS COMPOUNDS HIF BIO, INC. (US) 2007-06-07 WO disclosed
EP-1686127-A1 New heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases Bayer HealthCare AG (DE) 2006-08-02 EP 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
US-6462068-B1 CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-6414009-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6410740-B1 CYCLIZATION OF THE CORRESPONDING AMIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-6387940-B1 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6166027-A Heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-12-26 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 255/4885KDM4E 2368/4885ALDH1A1 1123/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C PDE5A 250/4885KDM4E 2299/4885ALDH1A1 1193/4885

“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.