SCHEMBL1133922

SCHEMBL1133922

Nc1cc2c3c(cccc3c1N)C(=O)OC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.51
USP2 O75604 6/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 2/20 0.42
HKDC1 Q2TB90 1/20 0.42
RGS12 O14924 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
APEX1 P27695 1/20 0.42
CASP1 P29466 1/20 0.42
BRCA1 P38398 1/20 0.42
MTOR P42345 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL7709652 0.84 TYMS (0.64) TYMSUSP2KMT2AMEN1TDP1
SCHEMBL7709571 0.83 TYMS (0.57) TYMSUSP2KMT2AMEN1TDP1
SCHEMBL7709795 0.83 HKDC1 (0.65) TYMSUSP2KMT2AMEN1TDP1
SCHEMBL29836499 0.83 TYMS (0.49) TYMSUSP2KMT2AMEN1TDP1
SCHEMBL4077252 0.83 TYMS (0.49) TYMSUSP2KMT2AMEN1TDP1
SCHEMBL29556131 0.79 USP2 (0.65) TYMSUSP2KMT2AMEN1TDP1
SCHEMBL30516566 0.79 USP2 (0.65) TYMSUSP2KMT2AMEN1TDP1
SCHEMBL1025154 0.79 USP2 (0.65) TYMSUSP2KMT2AMEN1TDP1
SCHEMBL7703712 0.78 TYMS (0.44) TYMSUSP2KMT2AMEN1TDP1
SCHEMBL30608350 0.78 TYMS (0.44) TYMSHKDC1CYP1A2CYP3A4CYP2C9

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-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2011-06-02 US disclosed
US-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2011-06-02 US disclosed
US-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2011-06-02 US disclosed
EP-2285820-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF Syddansk Universitet (DK) 2011-02-23 EP disclosed
WO-2009135890-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2009-11-12 WO disclosed
WO-2009135890-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF SYDDANSK UNIVERSITET (DK) 2009-11-12 WO 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-20110130557-A1 INTERCALATING TRIPLEXES AND DUPLEXES USING ARYL NAPHTHOIMIDAZOL AND PROCESS FOR THE PREPARATION THEREOF POLRMT, DDX1, DDX18 TYMS 477/4885USP2 4681/4885KMT2A 2894/4885

“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.