SCHEMBL6782253

SCHEMBL6782253

CCNc1ccc(C(=O)N(CCC(=O)OCC)c2ccccc2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GAA P10253 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
PLEC Q15149 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
PTGER4 P35408 4/20 0.43
BRD4 O60885 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRA2C P18825 1/20 0.40
NQO2 P16083 1/20 0.40
F2 P00734 3/20 0.40
RAB9A P51151 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
SCHEMBL6779617 0.91 SMN1; SMN2 (0.50) MAPTGAAALDH1A1KDM4ETHRB
SCHEMBL506325 0.81 PRKCI (0.46) MAPTGAAALDH1A1KDM4ETHRB
SCHEMBL29276650 0.80 KMT2A (0.41) MAPTGAAALDH1A1HTTSMN1; SMN2
SCHEMBL6779574 0.77 ALDH1A1 (0.52) MAPTGAAALDH1A1KDM4ETHRB
SCHEMBL29276987 0.77 PRKCI (0.40) MAPTGAAALDH1A1KDM4ETHRB
SCHEMBL30407813 0.76 NQO2 (0.54) MAPTGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL1269634 0.76 NQO2 (0.54) MAPTGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL5881603 0.73 PTGER4 (0.54) MAPTGAAALDH1A1KDM4ETHRB
SCHEMBL21821644 0.73 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL14800323 0.73 PTGER4 (0.73) MAPTGAAALDH1A1KDM4ETHRB

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 MAPT 4785/4885GAA 1981/4885ALDH1A1 2949/4885

“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.