SCHEMBL6779015

SCHEMBL6779015

COC(=O)CCN(C(=O)c1ccc2sc(CNc3ccc(C#N)cc3)nc2c1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NQO2 P16083 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
F2 P00734 8/20 0.47
SLC22A2 O15244 1/20 0.47
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
PROC P04070 1/20 0.47
HPN P05981 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
SLC47A2 Q86VL8 1/20 0.47

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 SCHEMBL6780856 0.89 NQO2 (0.60) SMN1; SMN2HSD17B10NQO2ALDH1A1MAPK1
SCHEMBL7164344 0.88 POLB (0.39) SMN1; SMN2HSD17B10NQO2ALDH1A1MAPK1
SCHEMBL6780502 0.87 NQO2 (0.48) SMN1; SMN2HSD17B10NQO2ALDH1A1MAPK1
SCHEMBL6779120 0.83 NQO2 (0.71) SMN1; SMN2HSD17B10NQO2F2SLC22A2
SCHEMBL6779401 0.82 F2 (0.45) NQO2MEN1KMT2AF2NR1I2
Hydrochloric Acid SCHEMBL7160496 0.79 NQO2 (0.49) SMN1; SMN2HSD17B10NQO2ALDH1A1MAPK1
SCHEMBL6781181 0.78 HDAC6 (0.43) SMN1; SMN2HSD17B10NQO2ALDH1A1MEN1
SCHEMBL7167277 0.77 NQO2 (0.38) SMN1; SMN2NQO2ALDH1A1MAPK1MEN1
SCHEMBL15562470 0.77 NQO2 (0.57) SMN1; SMN2HSD17B10NQO2ALDH1A1MAPK1
SCHEMBL6784637 0.77 HDAC6 (0.44) SMN1; SMN2NQO2ALDH1A1MAPK1L3MBTL1

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 4229/4885HSD17B10 518/4885NQO2 717/4885

“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.