SCHEMBL6779617

SCHEMBL6779617

CCOC(=O)CCN(C(=O)c1ccc(NC)c(N)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
PRKCI P41743 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 3/20 0.41
BRD4 O60885 2/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
PTGER4 P35408 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 1/20 0.39
NQO2 P16083 1/20 0.39
F2 P00734 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
PLEC Q15149 1/20 0.38
ADRA2C P18825 1/20 0.38
ALOX15 P16050 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
SCHEMBL6782253 0.91 MAPT (0.51) SMN1; SMN2MEN1KMT2AGAABRD4
SCHEMBL506325 0.90 PRKCI (0.46) SMN1; SMN2PRKCIMEN1KMT2AGAA
SCHEMBL29276650 0.89 KMT2A (0.41) SMN1; SMN2PRKCIKMT2AGAABRD4
SCHEMBL29276987 0.86 PRKCI (0.40) SMN1; SMN2PRKCIMEN1KMT2AGAA
SCHEMBL1269634 0.85 NQO2 (0.54) SMN1; SMN2PRKCIMEN1KMT2AGAA
SCHEMBL30407813 0.85 NQO2 (0.54) SMN1; SMN2PRKCIMEN1KMT2AGAA
SCHEMBL6779574 0.84 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL28798220 0.82 ADRA2C (0.47) SMN1; SMN2PRKCIMEN1KMT2AGAA
SCHEMBL6775774 0.81 PRKCI (0.46) PRKCIGAAALDH1A1MAPTPTGER4
SCHEMBL6779269 0.81 ADRA2C (0.41) SMN1; SMN2PRKCIMEN1KMT2AGAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300154-B2 Anticoagulant derivatives for cardiovascular imaging ELMALEH DAVID R (US) 2019-05-28 US disclosed
US-20170290931-A1 ANTICOAGULANT DERIVATIVES FOR CARDIOVASCULAR IMAGING ELMALEH DAVID R (US) 2017-10-12 US disclosed
US-20170290931-A1 ANTICOAGULANT DERIVATIVES FOR CARDIOVASCULAR IMAGING ELMALEH DAVID R (US) 2017-10-12 US disclosed
WO-2016044645-A1 ANTICOAGULANT DERIVATIVES FOR CARDIOVASCULAR IMAGING ELMALEH DAVID R (US) 2016-03-24 WO disclosed
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 (3 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-10300154-B2 Anticoagulant derivatives for cardiovascular imaging F3, TFPI, SERPINC1 SMN1; SMN2 4774/4885PRKCI 2284/4885MEN1 760/4885
US-20030004181-A1 Disubstituted bicyclic heterocycles, the preparation thereof, and their use as pharmaceutical compositions F2, TFPI, FGB SMN1; SMN2 4229/4885PRKCI 2854/4885MEN1 1446/4885
US-20170290931-A1 ANTICOAGULANT DERIVATIVES FOR CARDIOVASCULAR IMAGING F3, TFPI, SERPINC1 SMN1; SMN2 4774/4885PRKCI 2284/4885MEN1 760/4885

“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.