SCHEMBL6779966

SCHEMBL6779966

CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(COc1ccc(C#N)cc1)n2C)c1ccncn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.53
F2 P00734 7/20 0.47
NR1I2 O75469 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
SLC6A2 P23975 1/20 0.46
AGTR1 P30556 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SCN5A Q14524 1/20 0.46
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
NLRP3 Q96P20 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SLC22A2 O15244 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
PROC P04070 1/20 0.41
HPN P05981 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41

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
Hydrochloric Acid SCHEMBL7653785 0.90 NQO2 (0.64) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL6785308 0.86 F2 (0.59) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL6779065 0.83 NQO2 (0.55) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL6780628 0.81 NQO2 (0.64) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL6782414 0.80 F2 (0.65) NQO2F2MAPTNPC1NLRP3
SCHEMBL505917 0.80 NQO2 (0.82) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL6775139 0.80 NQO2 (0.62) NQO2F2NR1I2ADORA3SLC6A2
Hydrochloric Acid SCHEMBL14696865 0.79 NQO2 (0.81) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL16274264 0.79 NQO2 (0.62) NQO2F2NR1I2ADORA3SLC6A2
SCHEMBL6784163 0.78 NQO2 (0.70) NQO2F2NR1I2ADORA3SLC6A2

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
US-6710055-B2 INDOLE AND BENZIMIDAZOLE ANTITHROMBOTIC COMPOUNDS, SUCH AS 1-METHYL-2-(N-AMIDINOPHENYL)-AMINOMETHYL)-5-(N-(HYDROXYCARBO QUINOLINE-8-SULFONYLAMINO)-INDOLE BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2004-03-23 US disclosed
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
US-6469039-B1 BENZIMIDAZOLES; THROMBIN- INHIBITING ACTIVITY AND THE EFFECT OF EXTENDING THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-22 US disclosed
US-6414008-B1 CYNAO- OR AMIDINE-SUBSTITUTED BENZIMIDAZOLES, BENOTHIAZOLES, OR BENZOXAZOLES; 2-(N-(4-AMIDINOPHENYL)AMINOMETHYL)BENZOTHIAZOLES; 2-((4-CYANOPHENYL)OXYMETHYL)IMIDAZOL(4,5-B)PYRIDINES; ANTITHROMBOTICS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-07-02 US disclosed
US-6087380-A ANTITHROMBOTIC BENZIMIDAZOLES; ANTICOAGULANTS; 2-(N-(4-AMIDINOPHENYL)-AMINOMETHYL)-BENZIMIDAZOL-5-YL-CARBOXYLIC ACIDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-07-11 US 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-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions F2, TFPI, FGB NQO2 717/4885F2 1/4885NR1I2 249/4885

“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.