SCHEMBL3077596

SCHEMBL3077596

COc1ccccc1Cn1nc(-c2ccc(CO)o2)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.67
HIF1A Q16665 4/20 0.67
EPAS1 Q99814 4/20 0.67
KDM4E B2RXH2 1/20 0.67
NPC1 O15118 1/20 0.67
GMNN O75496 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPT P10636 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 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
RAB9A P51151 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
SCHEMBL5564884 0.85 PDE5A (0.71) PDE5AHIF1AEPAS1KDM4ENPC1
SCHEMBL5565167 0.84 PDE5A (0.72) PDE5AHIF1AEPAS1KDM4ENPC1
SCHEMBL5560131 0.83 PDE5A (0.71) PDE5AHIF1AEPAS1KDM4ENPC1
SCHEMBL5566165 0.83 PDE5A (0.74) PDE5AHIF1AEPAS1KDM4ENPC1
SCHEMBL3071620 0.83 PDE5A (0.71) PDE5AHIF1AEPAS1KDM4ENPC1
SCHEMBL5565062 0.83 PDE5A (0.77) PDE5AHIF1AEPAS1KDM4ENPC1
SCHEMBL5565319 0.80 PDE5A (0.67) PDE5AHIF1AEPAS1KDM4ENPC1
SCHEMBL3076641 0.80 PDE5A (0.67) PDE5AHIF1AEPAS1KDM4ENPC1
SCHEMBL187837 0.80 PDE5A (1.00) PDE5AHIF1AEPAS1KDM4ENPC1
SCHEMBL29352550 0.80 PDE5A (1.00) PDE5AHIF1AEPAS1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 US claimed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
US-6180656-B1 CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 US claimed
CN-1240354-A Use of condensated (hetaryl-substituted) 1-benzal-3-pyarzol derivates for treating special diseases of the cardiovascular and the central nerous systems BAYER AG (DE) 2000-01-05 CN claimed
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 claimed
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 claimed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-7226941-B2 Compound for treating angiogenesis HIF BIO, INC. (US) 2007-06-05 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-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 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 (3 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 255/4885HIF1A 2016/4885EPAS1 1859/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C PDE5A 250/4885HIF1A 2281/4885EPAS1 1947/4885
US-20050187276-A1 Compounds, compositions and methods HIF1A, HIF1AN, EGLN3 PDE5A 1987/4885HIF1A 1/4885EPAS1 50/4885

“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.