Sugi Predict

Sugi Predict / Compounds / SCHEMBL6436780

SCHEMBL6436780

SCHEMBL6436780

Brc1ccc2c(Oc3ccccc3)nccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ TRPA1 O75762 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ PTGES O14684 1/20 0.41
▸ GRM4 Q14833 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL31595916 1.00 EGFR (0.44) EGFRPLAUTRPA1CYP1A2CYP2C9
SCHEMBL31595996 0.88 EGFR (0.44) EGFRPLAUTRPA1CYP1A2CYP2C9
SCHEMBL6439627 0.88 EGFR (0.44) EGFRPLAUTRPA1CYP1A2CYP2C9
SCHEMBL7214068 0.81 ROCK1 (0.48) TRPA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1204986 0.80 TRPA1 (0.61) TRPA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL1093339 0.80 TRPA1 (0.54) PLAUTRPA1CYP1A2CYP2C9CYP2C19
SCHEMBL1572366 0.79 LMNA (0.47) PLAUPTGESGRM4ALDH1A1L3MBTL1
SCHEMBL7369833 0.79 ROCK1 (0.46) TRPA1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL18318359 0.77 PLAU (0.47) PLAUTRPA1CYP1A2CYP2C9CYP2C19
SCHEMBL3379200 0.74 SMN1; SMN2 (0.49) PLAUCYP1A2CYP2C9CYP3A4PTGES

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 EGFR 4474/4885PLAU 171/4885TRPA1 2070/4885

“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.