SCHEMBL4096910

SCHEMBL4096910

CNC(=O)c1c([N+](=O)[O-])cnn1Cc1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
UCHL1 P09936 1/20 0.44
NPBWR1 P48145 1/20 0.44
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
DCTPP1 Q9H773 1/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 1/20 0.42
AKR1C3 P42330 2/20 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
SCHEMBL4100810 0.90 UCHL1 (0.49) ALDH1A1HPGDL3MBTL1TDP1UCHL1
SCHEMBL17458955 0.79 DCTPP1 (0.51) UCHL1NPBWR1SMN1; SMN2MAPTDCTPP1
SCHEMBL14801244 0.79 NPBWR1 (0.53) NPBWR1SMN1; SMN2MAPTDCTPP1
SCHEMBL7454078 0.78 TDP1 (0.47) ALDH1A1HPGDTDP1PKMSMN1; SMN2
SCHEMBL17458864 0.78 LMNA (0.47) ALDH1A1L3MBTL1TDP1PKMSMN1; SMN2
SCHEMBL14052805 0.77 GAA (0.55) ALDH1A1TDP1PKMSMN1; SMN2GAA
SCHEMBL17459012 0.75 CYP11B1 (0.51) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL29777571 0.74 GAA (0.45) ALDH1A1HPGDTDP1PKMSMN1; SMN2
SCHEMBL3287293 0.73 DCTPP1 (0.58) HPGDNPBWR1PKMSMN1; SMN2MAPT
SCHEMBL7457590 0.72 HPGD (0.46) ALDH1A1HPGDPKMSMN1; SMN2KMT2A

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-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 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 (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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 ALDH1A1 1328/4885HPGD 1017/4885L3MBTL1 4477/4885

“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.