SCHEMBL3076323

SCHEMBL3076323

O=Cc1ccc(-c2nn(Cc3ccccc3F)c3ccccc23)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.47
CHRM1 P11229 2/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3076502 0.84 PDE5A (0.56) PDE5ACHRM1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL3076268 0.84 PDE5A (0.45) PDE5AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3072072 0.83 PDE5A (0.67) PDE5AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3058590 0.83 ALDH1A1 (0.48) PDE5AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3069880 0.81 CYP1A2 (0.54) PDE5AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3071620 0.81 PDE5A (0.71) PDE5ACHRM1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5334275 0.81 PDE5A (0.57) PDE5ACHRM1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14497192 0.80 PDE5A (0.47) PDE5AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3064866 0.79 PDE5A (0.58) PDE5AALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3081242 0.77 PDE5A (0.53) PDE5AALDH1A1SMN1; SMN2KDM4ENPC1

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 9 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
EP-0932403-B1 CONDENSED (HETARYL-SUBSTITUTED) 1-BENZYL-3-PYRAZOL DERIVATES FOR TREATING DISEASES OF THE CARDIOVASCULAR AND CENTRAL NERVOUS SYSTEMS BAYER HEALTHCARE AG (DE) 2005-11-30 EP disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
US-6180656-B1 CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
EP-0932403-A1 USE OF CONDENSATED (HETARYL-SUBSTITUTED) 1-BENZAL-3-PYRAZOL DERIVATES FOR TREATING SPECIAL DISEASES OF THE CARDIOVASCULAR AND THE CENTRAL NERVOUS SYSTEMS BAYER AG (DE) 1999-08-04 EP disclosed
WO-1998016223-A1 USE OF CONDENSATED (HETARYL-SUBSTITUTED) 1-BENZAL-3-PYRAZOL DERIVATES FOR TREATING SPECIAL DISEASES OF THE CARDIOVASCULAR AND THE CENTRAL NERVOUS SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-23 WO 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 255/4885CHRM1 753/4885ALDH1A1 1123/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C PDE5A 250/4885CHRM1 782/4885ALDH1A1 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.