SCHEMBL6775774

SCHEMBL6775774

CCCN(CCC(=O)OCC)C(=O)c1ccc(NC)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.46
PTGER4 P35408 3/20 0.41
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 5/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
PLEC Q15149 1/20 0.38
MLYCD O95822 1/20 0.38
BACE1 P56817 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL7432669 0.88 PRKCI (0.43) PRKCIPTGER4HPGDALOX15GAA
SCHEMBL6785003 0.82 RAB9A (0.38) HPGDMAPTKDM4EALDH1A1THRB
SCHEMBL6779617 0.81 SMN1; SMN2 (0.50) PRKCIPTGER4HPGDALOX15GAA
SCHEMBL29276987 0.78 PRKCI (0.40) PRKCIPTGER4HPGDALOX15GAA
SCHEMBL30407813 0.77 NQO2 (0.54) PRKCIGAAMAPTALDH1A1HSD17B10
SCHEMBL1269634 0.77 NQO2 (0.54) PRKCIGAAMAPTALDH1A1HSD17B10
SCHEMBL29276650 0.77 KMT2A (0.41) PRKCIPTGER4ALOX15GAAMAPT
SCHEMBL5591927 0.77 PRKCI (0.61) PRKCIHPGDGAAMAPTKDM4E
SCHEMBL5881603 0.77 PTGER4 (0.54) PTGER4HPGDALOX15GAAMAPT
SCHEMBL16274263 0.76 PTGER4 (0.50) PRKCIPTGER4HPGDALOX15GAA

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 PRKCI 2854/4885PTGER4 671/4885HPGD 97/4885

“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.