SCHEMBL5565271

SCHEMBL5565271

c1ccc(Cn2nc(-c3ccco3)c3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.64
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.61
GMNN O75496 1/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
RAB9A P51151 1/20 0.61

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
SCHEMBL5560831 0.79 PDE5A (0.66) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3621787 0.79 ALDH1A1 (0.67) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5564260 0.78 PDE5A (1.00) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13865190 0.78 CYP2D6 (0.57) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6865260 0.77 ADORA2A (0.54) ALDH1A1LMNASMN1; SMN2HSD17B10ADORA2A
SCHEMBL7490178 0.76 PDE5A (0.55) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10252544 0.76 PDE5A (0.77) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1900992 0.76 PDE5A (0.70) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL187837 0.76 PDE5A (1.00) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6766081 0.76 PDE5A (0.59) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6

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 11 patents. 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-7226941-B2 Compound for treating angiogenesis HIF BIO, INC. (US) 2007-06-05 US disclosed
EP-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP disclosed
US-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 US disclosed
WO-2005030121-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO, INC. (US) 2005-04-07 WO disclosed
US-6387942-B2 PYRAZOLYL COMPOUND; ANTICOAGULANTS, ANTIPROLIFERATIVE AGENT YUNG SHIN PHARMACEUTICAL IND. CO. LTD (TW) 2002-05-14 US disclosed
CN-1331076-A Fused pyrazolyl compounds, compositions containing the same, and uses of the compounds YONGXIN MEDICINE INDUSTRY CO L (CN) 2002-01-16 CN 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

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-20050187276-A1 Compounds, compositions and methods HIF1A, HIF1AN, EGLN3 PDE5A 1987/4885ALDH1A1 858/4885CYP1A2 2118/4885
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation F2R, HPN, F2RL1 PDE5A 3372/4885ALDH1A1 2860/4885CYP1A2 1533/4885

“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.