SCHEMBL6776686

SCHEMBL6776686

CCOC(=O)CN(C(=O)c1ccc(NC)c(N)c1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NQO2 P16083 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
PRKCI P41743 1/20 0.41
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 2/20 0.39
NR1I2 O75469 1/20 0.38
F2 P00734 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
SLC6A2 P23975 1/20 0.38
AGTR1 P30556 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
SCHEMBL1269634 0.90 NQO2 (0.54) GAAALDH1A1MAPK1MEN1KMT2A
SCHEMBL30407813 0.90 NQO2 (0.54) GAAALDH1A1MAPK1MEN1KMT2A
SCHEMBL21768729 0.85 GAA (0.40) GAAALDH1A1MAPK1MEN1KMT2A
SCHEMBL15150307 0.85 ALDH1A1 (0.48) GAAALDH1A1MAPK1MEN1KMT2A
SCHEMBL9926718 0.81 SMN1; SMN2 (0.51) GAAALDH1A1MAPK1MEN1KMT2A
SCHEMBL15427687 0.81 ALDH1A1 (0.56) GAAALDH1A1MAPK1MEN1KMT2A
SCHEMBL28707229 0.81 SMN1; SMN2 (0.46) GAAALDH1A1MAPK1MEN1KMT2A
SCHEMBL29500798 0.81 SMN1; SMN2 (0.46) GAAALDH1A1MAPK1MEN1KMT2A
SCHEMBL17546280 0.80 ALDH1A1 (0.58) GAAALDH1A1MAPK1MEN1KMT2A
SCHEMBL15562826 0.80 TSHR (0.41) GAAALDH1A1MAPK1MEN1KMT2A

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 GAA 1981/4885ALDH1A1 2949/4885MAPK1 2790/4885

“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.