SCHEMBL4301033

SCHEMBL4301033

Cc1nc(N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c(NNC(=O)OC(C)(C)C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
AKT1 P31749 3/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4307213 0.91 GAA (0.43) KMT2AMEN1NPC1GAARAB9A
SCHEMBL5793537 0.88 KMT2A (0.40) KMT2AGAARAB9ALMNASMN1; SMN2
SCHEMBL5793540 0.88 KMT2A (0.40) KMT2AGAARAB9ALMNASMN1; SMN2
SCHEMBL6096675 0.85 BRD4 (0.41) KMT2AMEN1CYP3A4MAPT
SCHEMBL4302676 0.84 MEN1 (0.48) KMT2AMEN1NPC1GAARAB9A
SCHEMBL4296286 0.83 KMT2A (0.40) KMT2AMEN1NPC1GAARAB9A
SCHEMBL13663007 0.81 KMT2A (0.39) KMT2AMEN1NPC1GAARAB9A
SCHEMBL12201463 0.81 SYK (0.38) AKT1LMNASMN1; SMN2CTSLCTSB
SCHEMBL4301350 0.80 RAB9A (0.43) KMT2AMEN1NPC1GAARAB9A
SCHEMBL5818571 0.78 LMNA (0.36) KMT2ANPC1GAARAB9AAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 US disclosed
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG KMT2A 3187/4885MEN1 2721/4885NPC1 3339/4885

“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.