SCHEMBL3018832

SCHEMBL3018832

COc1ccc(N(C(N)=O)c2ccc([N+](=O)[O-])cc2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
NPC1 O15118 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 2/20 0.48
HSP90AA1 P07900 1/20 0.48
PAX8 Q06710 1/20 0.48
GAA P10253 3/20 0.44
MAPK1 P28482 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 3/20 0.41
CYP19A1 P11511 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALOX5 P09917 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL27605699 0.88 GPR35 (0.46) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL27605646 0.87 MAPT (0.46) MAPTNPC1NPSR1MEN1KMT2A
SCHEMBL27605684 0.86 MEN1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27587720 0.85 GPR35 (0.43) MAPTNPC1NPSR1MEN1KMT2A
SCHEMBL27587702 0.83 MGLL (0.45) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL9488095 0.83 PTGS2 (0.41) MAPTGAAHTTALDH1A1RAB9A
SCHEMBL27587711 0.83 GPR35 (0.51) MAPTKMT2AGAAMAPK1HTT
SCHEMBL6824083 0.81 L3MBTL1 (0.42) MAPTNPC1KMT2AGAAMAPK1
SCHEMBL27587738 0.81 NPC1 (0.46) MAPTNPC1MEN1KMT2AGAA
SCHEMBL9267193 0.81 GPR35 (0.39) MAPTMEN1KMT2AGAAMAPK1

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-8318731-B2 Pyrrolopyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 US disclosed
US-20100204197-A1 PYRROLOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US 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-20100204197-A1 PYRROLOPYRIMIDINES PLK4, PLK2, PLK3 MAPT 2102/4885NPC1 3454/4885NPSR1 3714/4885

“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.