SCHEMBL1645313

SCHEMBL1645313

CNC(=O)C(C)(C(=O)O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ACR P10323 5/20 0.43
PRSS1 P07477 4/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PARP10 Q53GL7 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HGFAC Q04756 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TMPRSS15 P98073 1/20 0.36
HDAC1 Q13547 1/20 0.36
KIF11 P52732 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
SCHEMBL7309964 0.96 ACR (0.42) KMT2AMEN1ACRPRSS1MAPT
SCHEMBL1399026 0.86 KMT2A (0.43) KMT2AMEN1ACRPRSS1MAPT
SCHEMBL1996805 0.83 PRSS1 (0.60) KMT2AMEN1ACRPRSS1MAPT
SCHEMBL4597132 0.83 MAPT (0.41) KMT2AMEN1ACRPRSS1MAPT
SCHEMBL1399025 0.82 ACR (0.41) KMT2AMEN1ACRPRSS1MAPT
SCHEMBL11313701 0.82 KMT2A (0.54) KMT2AMEN1ACRPRSS1SMN1; SMN2
SCHEMBL10956570 0.80 KMT2A (0.56) KMT2AMEN1ACRPRSS1MAPT
SCHEMBL2917664 0.79 ACR (0.40) KMT2AMEN1ACRPRSS1MAPT
SCHEMBL11302255 0.79 LMNA (0.52) KMT2AMEN1ACRPRSS1MAPT
SCHEMBL7328271 0.78 ACR (0.58) KMT2AMEN1ACRPRSS1MAPT

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-20120208882-A1 Organic Compounds DANAHAY HENRY LUKE (GB) 2012-08-16 US disclosed
EP-2305639-A2 Organic compounds Novartis AG (CH) 2011-04-06 EP disclosed
EP-2253612-A1 Organic compounds Novartis AG (CH) 2010-11-24 EP disclosed
US-20090203777-A1 ORGANIC COMPOUNDS MAAS, JANET CATHERINE (GB) 2009-08-13 US disclosed
EP-1874726-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006108643-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-10-19 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 (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-20120208882-A1 Organic Compounds CFTR, OTC, ASIC1 KMT2A 3928/4885MEN1 4069/4885ACR 2022/4885
US-20090203777-A1 ORGANIC COMPOUNDS CFTR, OTC, ASIC1 KMT2A 3928/4885MEN1 4069/4885ACR 2022/4885

“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.