SCHEMBL3382465

SCHEMBL3382465

CN1CCN(CCOc2ccc([N+](=O)[O-])cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
LTA4H P09960 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
KCNJ1 P48048 2/20 0.44
KCNH2 Q12809 2/20 0.44
SIRT6 Q8N6T7 1/20 0.44
KMT2A Q03164 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MEN1 O00255 1/20 0.43
HSPB1 P04792 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL1641137 0.89 LTA4H (0.61) ALDH1A1KDM4ELTA4HPTGS1PTGS2
SCHEMBL6408582 0.88 LTA4H (0.60) ALDH1A1KDM4ELTA4HPTGS1PTGS2
SCHEMBL22171219 0.86 MAPT (0.56) ALDH1A1KDM4ELTA4HPTGS1PTGS2
SCHEMBL25398564 0.86 KDM4E (0.50) ALDH1A1KDM4ELTA4HPTGS1PTGS2
SCHEMBL3386044 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ELTA4HPTGS1PTGS2
SCHEMBL16973009 0.84 LTA4H (0.46) ALDH1A1KDM4ELTA4HPTGS1PTGS2
SCHEMBL25398475 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ELTA4HPTGS1PTGS2
SCHEMBL520019 0.81 LTA4H (0.72) ALDH1A1KDM4ELTA4HPTGS1PTGS2
SCHEMBL6643718 0.80 CYP1A2 (0.59) ALDH1A1KDM4EMAPTKCNJ1KCNH2
SCHEMBL15567831 0.78 ALDH1A1 (0.69) ALDH1A1KDM4ELTA4HPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 ALDH1A1 2440/4885KDM4E 2587/4885LTA4H 2896/4885

“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.