SCHEMBL6450408

SCHEMBL6450408

COCc1ccoc1-c1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.60
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
ACHE P22303 1/20 0.47
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 4/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 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
SCHEMBL6766081 0.85 PDE5A (0.59) PDE5ACNR1CNR2ACHECYP1A2
SCHEMBL7493020 0.84 CYP2D6 (0.57) PDE5ACNR1CNR2ACHECYP1A2
SCHEMBL7492370 0.82 PDE5A (0.62) PDE5ACNR1CNR2ACHECYP1A2
SCHEMBL7494310 0.76 PDE5A (0.62) PDE5ACYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL4849350 0.75 PDE5A (1.00) PDE5ACNR1CNR2ACHECYP1A2
SCHEMBL4428683 0.73 PDE5A (0.61) PDE5ACNR1CNR2ACHECYP1A2
SCHEMBL5565271 0.72 PDE5A (0.64) PDE5ACNR1CNR2ACHECYP1A2
SCHEMBL3621787 0.71 ALDH1A1 (0.67) PDE5ACNR1CNR2ACHECYP1A2
SCHEMBL3073971 0.70 PDE5A (0.85) PDE5ACNR1CNR2ACHECYP1A2
SCHEMBL13865190 0.70 CYP2D6 (0.57) PDE5ACNR1CNR2ACHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562579-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE Hemocorm Limited (GB) 2005-08-17 EP disclosed
WO-2004045599-A1 THERAPEUTIC DELIVERY OF CARBON MONOXIDE HEMOCORM LIMITED (GB) 2004-06-03 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation F2R, HPN, F2RL1 PDE5A 3372/4885CNR1 184/4885CNR2 281/4885

“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.