SCHEMBL3527186

SCHEMBL3527186

O=C1NC2C(N1)N(c1ccc([N+](=O)[O-])cc1)C(=O)N2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.44
PLEC Q15149 1/20 0.44
CDC7 O00311 1/20 0.43
SIRT6 Q8N6T7 2/20 0.42
SCN2A Q99250 1/20 0.42
ADRB1 P08588 1/20 0.42
CRHBP P24387 1/20 0.41
GFER P55789 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3526711 0.81 HPN (0.51) MAPTKMT2AMEN1LMNARAB9A
SCHEMBL6480240 0.69 LMNA (0.43) MAPTKMT2AMEN1LMNAHTT
SCHEMBL16702434 0.69 SIRT6 (0.45) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL10643664 0.67 SCN2A (0.54) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL5314594 0.67 SIRT6 (0.46) MAPTKMT2AMEN1LMNASIRT6
SCHEMBL9187712 0.66 GSK3A (0.56) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL22567 0.66 ALDH1A1 (0.72) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL27909482 0.66 ALDH1A1 (0.72) KMT2AMEN1LMNAALDH1A1MAPK1
SCHEMBL31011685 0.66 MAPT (0.56) MAPTKMT2AMEN1LMNARAB9A
SCHEMBL517098 0.66 GSK3A (0.52) MAPTKMT2AMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745620-B2 Disubstituted cucurbiturils and preparing method thereof POSTECH FOUNDATION (KR) 2010-06-29 US disclosed
US-20080139821-A1 Disubstituted Cucurbiturils and Preparing Method Thereof POSTECH FOUNDATION (KR) 2008-06-12 US disclosed
WO-2005087777-A1 DISTRIBUTED CUCURBITURILS AND PREPARING METHOD THEREOF POSTECH FOUNDATION (KR) 2005-09-22 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-20080139821-A1 Disubstituted Cucurbiturils and Preparing Method Thereof AGL, UCHL1, SCLY MAPT 4548/4885KMT2A 1444/4885MEN1 4413/4885

“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.