Sugi Predict

Sugi Predict / Compounds / SCHEMBL6434880

SCHEMBL6434880

SCHEMBL6434880

Nc1nccc2oc(I)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.39
▸ NOS2 P35228 3/20 0.39
▸ F12 P00748 3/20 0.39
▸ PLAU P00749 1/20 0.39
▸ NCF1 P14598 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ MET P08581 5/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ TLR8 Q9NR97 2/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ PLG P00747 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ KLKB1 P03952 1/20 0.31

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
SCHEMBL8269242 0.78 MET (0.44) NOS3NOS2F12PLAUNCF1
SCHEMBL31393644 0.76 F2RL3 (0.42) KDM4EALDH1A1HPGDEGFRMEN1
SCHEMBL23030953 0.76 HTR2A (0.40) NOS3NOS2F12PLAUNCF1
SCHEMBL6436234 0.76 ROCK1 (0.45) NOS3NOS2F12PLAUNCF1
SCHEMBL15020030 0.74 TLR8 (0.43) NOS3NOS2NOS1METROCK1
SCHEMBL6437228 0.74 MET (0.42) NOS3NOS2F12PLAUNCF1
SCHEMBL6437939 0.74 CSNK2A1 (0.38) NOS3NOS2F12PLAUNCF1
Hydrochloric Acid SCHEMBL23013699 0.73 MET (0.41) NOS3NOS2F12PLAUNCF1
SCHEMBL31426273 0.72 PDE3B (0.39) ALDH1A1PDE3A
SCHEMBL23030510 0.71 TLR8 (0.37) NOS3NOS2F12PLAUNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 — — EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 — — US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 — — US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 — — US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 — — US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 — — US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 — — EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 — — WO 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 NOS3 192/4885NOS2 384/4885F12 2/4885

“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.