SCHEMBL5957769

SCHEMBL5957769

Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc4c(c3)OCO4)oc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 3/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 5/20 0.51
POLB P06746 5/20 0.51
TP53 P04637 3/20 0.50
HTT P42858 2/20 0.50
TRPA1 O75762 3/20 0.49
HPGD P15428 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL5957521 0.83 KMT2A (0.53) KMT2AMEN1USP2TSHRMAPK1
SCHEMBL5957454 0.83 KMT2A (0.51) KMT2AMEN1USP2TSHRMAPK1
SCHEMBL5957350 0.82 TRPA1 (0.55) KMT2AMAPK1SMN1; SMN2LMNAMAPT
SCHEMBL5957420 0.82 TRPA1 (0.66) MAPK1TP53TRPA1
SCHEMBL5957447 0.77 TRPA1 (0.66) USP2LMNAMAPTPOLBHTT
SCHEMBL6234824 0.76 TRPA1 (0.49) KMT2AMEN1TSHRSMN1; SMN2LMNA
SCHEMBL5957829 0.73 TRPA1 (0.60) MAPTTRPA1HPGD
SCHEMBL7097607 0.71 MAPT (0.68) KMT2AMEN1USP2MAPTPOLB
SCHEMBL7171065 0.71 MAPT (0.57) KMT2AMEN1USP2MAPTPOLB
SCHEMBL5957816 0.71 MMP13 (0.48) KMT2AMEN1TSHRMAPK1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 KMT2A 3012/4885MEN1 4045/4885USP2 3765/4885

“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.