SCHEMBL15082040

SCHEMBL15082040

CCc1ccc(Nc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.68
TDP1 Q9NUW8 4/20 0.68
MAPK1 P28482 4/20 0.68
ALDH1A1 P00352 3/20 0.68
CASP7 P55210 1/20 0.68
MAPT P10636 6/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
GAA P10253 2/20 0.65
PKM P14618 1/20 0.65
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
ALPG P10696 1/20 0.59
NPSR1 Q6W5P4 1/20 0.54
EPAS1 Q99814 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46

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
SCHEMBL11506844 0.87 ALDH1A1 (0.89) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL28172420 0.85 TDP1 (0.60) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL27898835 0.84 MAPK1 (0.73) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL27226881 0.84 MAPT (0.69) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL3909830 0.84 MAPK1 (0.73) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL27787938 0.84 MAPK1 (0.68) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL14372958 0.83 TDP1 (0.57) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL497223 0.82 MAPK1 (0.74) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL11676980 0.82 MAPK1 (0.74) L3MBTL1TDP1MAPK1ALDH1A1CASP7
SCHEMBL1624506 0.82 KMT2A (0.66) L3MBTL1TDP1MAPK1ALDH1A1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107188853-A Tetraphenyl ethylene base blue light material and preparation method and application containing benzimidazole unit 中国矿业大学 2017-09-22 CN disclosed
US-9226921-B2 Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-05 US disclosed
US-8846713-B2 Fused heterocyclic compounds as phosphodiesterases (PDEs) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 US disclosed
US-8563575-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-22 US disclosed
US-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS CROSSWING INC. (CA) 2013-07-04 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 (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-20130172328-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A L3MBTL1 4592/4885TDP1 70/4885MAPK1 1560/4885
US-20140228320-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS PDE3A, PDE5A, PDE2A L3MBTL1 4592/4885TDP1 70/4885MAPK1 1560/4885

“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.