SCHEMBL6779045

SCHEMBL6779045

CCOC(=O)CCN(C(=O)c1cnc2sc(COC)nc2c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NQO2 P16083 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
MAPT P10636 3/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
GALR3 O60755 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
F2 P00734 1/20 0.33
TOP2A P11388 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7164659 0.86 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CYSLTR2CYSLTR1MAPT
SCHEMBL6779548 0.85 SMN1; SMN2 (0.44) SMN1; SMN2NQO2L3MBTL1MAPTALDH1A1
SCHEMBL6781801 0.82 NQO2 (0.42) SMN1; SMN2NQO2ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6780223 0.81 NQO2 (0.55) NQO2F2
SCHEMBL6779467 0.75 SMN1; SMN2 (0.45) SMN1; SMN2NQO2L3MBTL1MAPTGALR3
SCHEMBL7159095 0.75 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL28091390 0.74 SMN1; SMN2 (0.46) SMN1; SMN2NQO2L3MBTL1MAPTGALR3
SCHEMBL6781352 0.73 MGAM (0.38) SMN1; SMN2MAPTKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL7167303 0.70 NQO2 (0.48) NQO2F2
SCHEMBL7167893 0.69 ALDH1A1 (0.37) SMN1; SMN2NQO2L3MBTL1MAPTALDH1A1

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 SMN1; SMN2 4229/4885NQO2 717/4885L3MBTL1 4826/4885

“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.