SCHEMBL353219

SCHEMBL353219

O=C(NC1=CC(=O)C2OC2C1=O)c1cccnc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GRM5 P41594 1/20 0.34
KDR P35968 1/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL354123 0.83 BRD4 (0.44) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL13014189 0.81 LMNA (0.47) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL5474018 0.81 LMNA (0.47) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL353264 0.79 P2RX1 (0.46) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL13014489 0.77 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL352796 0.76 EGLN1 (0.47) KMT2AMEN1MAPTNPC1CASP3
SCHEMBL351794 0.75 PARK7 (0.51) PRKCIKMT2AMEN1ALDH1A1MAPT
SCHEMBL353750 0.71 KMT2A (0.36) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL115015 0.71 P2RX1 (0.44) KMT2AMEN1NPC1RAB9AP2RX7
SCHEMBL6653582 0.68 CHIA (0.56) KMT2AMEN1KDM4EL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
EP-2411376-A1 INHIBITORS OF NF-KB Profectus Biosciences, Inc. (US) 2012-02-01 EP disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG PRKCI 916/4885KMT2A 2968/4885MEN1 2854/4885

“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.