SCHEMBL3512673

SCHEMBL3512673

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
MYOC Q99972 1/20 0.51
KDM4E B2RXH2 2/20 0.50
SIRT6 Q8N6T7 1/20 0.50
FFAR1 O14842 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SRD5A2 P31213 1/20 0.47
HSPB1 P04792 1/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL10784720 0.93 TDP1 (0.70) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL2724028 0.89 TDP1 (0.62) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL10784985 0.89 TDP1 (0.62) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL7118483 0.89 KMT2A (0.54) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL2424186 0.88 TDP1 (0.61) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL1031276 0.88 TDP1 (0.61) TDP1MAPTNPSR1KDM4ESIRT6
SCHEMBL1027039 0.88 TDP1 (0.61) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL17530357 0.88 TDP1 (0.76) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL10785510 0.88 TDP1 (0.61) TDP1MEN1KMT2AMAPTNPSR1
SCHEMBL10786539 0.87 TDP1 (0.67) TDP1MEN1KMT2AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
US-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-11-04 US disclosed
EP-2005177-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM Tibotec Pharmaceuticals Ltd. (IE) 2008-12-24 EP disclosed
WO-2007113337-A1 A HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 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-20100280268-A1 HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM C1QBP, CD4, CHRM4 TDP1 2859/4885MEN1 1640/4885KMT2A 2262/4885

“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.