SCHEMBL2608841

SCHEMBL2608841

Cc1cc(OCC(C)C)nc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KMT2A Q03164 5/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NUDT1 P36639 2/20 0.39
FFAR4 Q5NUL3 2/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 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
SCHEMBL19510888 0.81 ALDH1A1 (0.46) TSHRKMT2ALMNAPOLBMEN1
SCHEMBL14213489 0.81 NUDT1 (0.37) TSHRKMT2ALMNAPOLBMEN1
SCHEMBL13256151 0.79 CYP1A2 (0.42) TSHRKMT2ALMNAMEN1NPSR1
SCHEMBL13012202 0.78 SMN1; SMN2 (0.50) TSHRKMT2ALMNAPOLBMEN1
SCHEMBL2609177 0.78 ALDH1A1 (0.40) TSHRKMT2ALMNAMEN1GAA
SCHEMBL13064187 0.74 MAPT (0.53) TSHRKMT2ALMNAPOLBMEN1
SCHEMBL2608866 0.74 S1PR1 (0.48) TSHRKMT2ALMNAMEN1L3MBTL1
SCHEMBL10498860 0.74 POLB (0.40) TSHRKMT2ALMNAPOLBMEN1
SCHEMBL17194885 0.74 MAPT (0.50) TSHRKMT2ALMNAPOLBMEN1
SCHEMBL13045015 0.74 LMNA (0.42) TSHRKMT2ALMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (2 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E TSHR 3119/4885KMT2A 3082/4885LMNA 3643/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E TSHR 2962/4885KMT2A 3647/4885LMNA 1290/4885

“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.