SCHEMBL3206906

SCHEMBL3206906

COc1ccc2c(-c3ccc(CO)o3)nn(Cc3ccccc3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 1.00
HIF1A Q16665 3/20 0.71
EPAS1 Q99814 3/20 0.71
KDM4E B2RXH2 2/20 0.71
ALDH1A1 P00352 2/20 0.71
LMNA P02545 2/20 0.71
MAPT P10636 2/20 0.71
NPC1 O15118 1/20 0.71
GMNN O75496 1/20 0.71
TP53 P04637 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
HPGD P15428 1/20 0.71
ALOX15 P16050 1/20 0.71
NFKB1 P19838 1/20 0.71
MAPK1 P28482 1/20 0.71
CYP2C19 P33261 1/20 0.71
RAB9A P51151 1/20 0.71

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
SCHEMBL5107975 0.92 PDE5A (0.85) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL5565062 0.87 PDE5A (0.77) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL5564960 0.87 PDE5A (0.76) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL3081769 0.86 PDE5A (0.76) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL3064842 0.86 PDE5A (0.76) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL2956590 0.86 PDE5A (1.00) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL14264655 0.86 PDE5A (0.80) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL6221112 0.85 PDE5A (0.75) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL5110749 0.85 PDE5A (0.74) PDE5AHIF1AEPAS1KDM4EALDH1A1
SCHEMBL5565474 0.85 PDE5A (0.78) PDE5AHIF1AEPAS1KDM4EALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP claimed
US-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 US claimed
WO-2005030121-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO, INC. (US) 2005-04-07 WO claimed
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-7378532-B2 Fused pyrazolyl compound YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2008-05-27 US disclosed
US-7345079-B2 Treatment of disorder related to low cyclic GMP levels YUNG SHIN PHARMACEUTICALS INDUSTRIAL CO., LTD (TW) 2008-03-18 US disclosed
US-7345079-B2 Treatment of disorder related to low cyclic GMP levels YUNG SHIN PHARMACEUTICALS INDUSTRIAL CO., LTD (TW) 2008-03-18 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
EP-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-20030220385-A1 Treatment of disorder related to low cyclic GMP levels YUNG SHIN PHARMACEUTICALS INDUSTRIAL CO., LT.D (TW) 2003-11-27 US disclosed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US disclosed
CN-1429548-A Medicament for the treatment of diseases associated with low cyclic GMP levels YONGXI DRUG IND CO LTD (CN) 2003-07-16 CN disclosed
US-6387942-B2 PYRAZOLYL COMPOUND; ANTICOAGULANTS, ANTIPROLIFERATIVE AGENT YUNG SHIN PHARMACEUTICAL IND. CO. LTD (TW) 2002-05-14 US disclosed
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2002-01-10 US disclosed
EP-1166785-A1 Use of pyrazole derivatives for inhibiting thrombin-induced platelet aggregation Yung Shin Pharmeutical Ind. Co., Ltd. (TW) 2002-01-02 EP disclosed
EP-0667345-B1 1-Benzyl-3-(substituted aryl)-condensed pyrazole derivatives as inhibitors of platelet aggregation YUNG SHIN PHARM IND CO LTD (TW) 1999-09-29 EP disclosed
EP-0667345-A1 1-Benzyl-3-(substituted aryl)-condensed pyrazole derivatives as inhibitors of platelet aggregation Yung Shin Pharm. Ind. Co. Ltd. (TW) 1995-08-16 EP 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 (5 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-20030220385-A1 Treatment of disorder related to low cyclic GMP levels PDE7A, PDE2A, PDE4A PDE5A 7/4885HIF1A 4123/4885EPAS1 2342/4885
US-20050187276-A1 Compounds, compositions and methods HIF1A, HIF1AN, EGLN3 PDE5A 1987/4885HIF1A 1/4885EPAS1 50/4885
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation F2R, HPN, F2RL1 PDE5A 3372/4885HIF1A 2934/4885EPAS1 2085/4885

“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.