SCHEMBL1647138

SCHEMBL1647138

CCCN(CCC)C(=O)Cc1cc(OC(=O)c2ccc(NC(=N)N)cc2)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
F2 P00734 5/20 0.40
F10 P00742 4/20 0.40
PLAU P00749 2/20 0.40
PLAT P00750 2/20 0.40
F7 P08709 3/20 0.37
F3 P13726 3/20 0.37
PLG P00747 2/20 0.37
MEN1 O00255 2/20 0.37
PRSS1 P07477 8/20 0.37
PRSS2 P07478 6/20 0.37
PRSS3 P35030 6/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ACR P10323 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL7314172 0.91 PRSS1 (0.40) KMT2AF2PLAUMEN1PRSS1
SCHEMBL7306882 0.85 PRSS1 (0.42) KMT2AF2F10PLAUPLAT
SCHEMBL1646132 0.85 PRSS1 (0.40) KMT2AF2F10PLAUPLAT
SCHEMBL1648212 0.83 PRSS1 (0.40) KMT2AF2F10PLAUPLAT
SCHEMBL11310803 0.83 KMT2A (0.48) KMT2AF2PLAUPLATPLG
SCHEMBL7307545 0.82 FTO (0.44) KMT2AF2F10PLAUPLAT
SCHEMBL7307765 0.80 FTO (0.42) KMT2AF2F10PLAUPLAT
SCHEMBL11304660 0.80 KMT2A (0.45) KMT2AF2PLAUPLATPLG
SCHEMBL11305839 0.79 KMT2A (0.46) KMT2AF2PLAUPLATPLG
SCHEMBL1647139 0.79 KMT2A (0.48) KMT2AF2F10PLAUPLAT

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 3928/4885F2 2423/4885F10 1964/4885
US-20090203777-A1 ORGANIC COMPOUNDS CFTR, OTC, ASIC1 KMT2A 3928/4885F2 2423/4885F10 1964/4885

“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.