SCHEMBL6766081

SCHEMBL6766081

OCc1ccoc1-c1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.59
CYP2D6 P10635 3/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
GMNN O75496 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
RAB9A P51151 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL7493020 0.89 CYP2D6 (0.57) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL7494310 0.87 PDE5A (0.62) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL6450408 0.85 PDE5A (0.60) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL7492370 0.83 PDE5A (0.62) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL5560831 0.77 PDE5A (0.66) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL3082745 0.76 F2RL3 (0.61) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL5565271 0.76 PDE5A (0.64) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL5560789 0.75 PDE5A (0.57) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL5558869 0.75 CYP2D6 (0.57) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1
SCHEMBL5565445 0.75 PDE5A (0.63) PDE5ACYP2D6CYP1A2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3108245-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING AND TREATING LOSS AND/OR DISTORTION OF TASTE OR SMELL Henkin, Robert I. (US) 2016-12-28 EP claimed
WO-2015126944-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING AND TREATING LOSS AND/OR DISTORTION OF TASTE OR SMELL HENKIN ROBERT I (US) 2015-08-27 WO claimed
CN-102438620-A Compounds, compositions and use for anticancer therapy MING YU 2012-05-02 CN claimed
EP-3108245-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING AND TREATING LOSS AND/OR DISTORTION OF TASTE OR SMELL Henkin, Robert I. (US) 2016-12-28 EP disclosed
WO-2016011270-A2 METHODS AND COMPOSITIONS FOR AMELIORATING SYMPTOMS ASSOCIATED WITH CHROMOSOMAL ABNORMALITIES HENKIN ROBERT I (US) 2016-01-21 WO disclosed
WO-2015126944-A1 METHODS AND COMPOSITIONS FOR DIAGNOSING AND TREATING LOSS AND/OR DISTORTION OF TASTE OR SMELL HENKIN ROBERT I (US) 2015-08-27 WO disclosed
CN-102438620-A Compounds, compositions and use for anticancer therapy MING YU 2012-05-02 CN disclosed
CN-1878464-A Therapeutic delivery of carbon monoxide HEMOCORM LTD (GB) 2006-12-13 CN disclosed
CN-1679552-A Preferential inhibition of proinflammatory cytokine release YUNG SHIN PHARM IND CO LTD (CN) 2005-10-12 CN disclosed
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060859-A2 NOVEL AMIDES THAT ACTIVATE SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-06-24 US 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 (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-20040121994-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 PDE5A 8/4885CYP2D6 4143/4885CYP1A2 1926/4885
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 PDE5A 8/4885CYP2D6 4143/4885CYP1A2 1926/4885
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation F2R, HPN, F2RL1 PDE5A 3372/4885CYP2D6 2836/4885CYP1A2 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.