SCHEMBL3486254

SCHEMBL3486254

CC(C)(C)C(=O)Nc1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
HTT P42858 3/20 0.52
FGFR4 P22455 2/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MERTK Q12866 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 2/20 0.39
AR P10275 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11628945 0.86 MAPT (0.57) MAPTHTTFGFR4KMT2AMAPK1
SCHEMBL5099519 0.84 MAPT (0.61) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL31515714 0.82 MAPT (0.59) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL21522837 0.79 MAPT (0.55) MAPTHTTFGFR4MEN1KMT2A
SCHEMBL1661669 0.79 KMT2A (0.47) MAPTHTTMEN1KMT2AHPGD
SCHEMBL267725 0.77 L3MBTL1 (0.44) MAPTHTTMEN1KMT2AHPGD
SCHEMBL9110385 0.77 MAPT (0.53) MAPTHTTFGFR4L3MBTL1POLB
SCHEMBL1242494 0.77 MAPT (0.59) MAPTHTTFGFR4MAPK1SMN1; SMN2
SCHEMBL29636874 0.77 MAPT (0.59) MAPTHTTFGFR4MAPK1SMN1; SMN2
SCHEMBL29128704 0.76 MAPT (0.56) MAPTHTTFGFR4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637650-B2 Macromolecular nucleotide compounds and methods for using the same GENOVOXX GMBH (DE) 2014-01-28 US disclosed
US-20100029494-A1 Macromolecular Nucleotide Compounds And Methods For Using The Same PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 MAPT 3292/4885HTT 3499/4885FGFR4 1407/4885
US-20100029494-A1 Macromolecular Nucleotide Compounds And Methods For Using The Same DUT, SAMHD1, PNP MAPT 2561/4885HTT 948/4885FGFR4 3618/4885

“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.