SCHEMBL3384471

SCHEMBL3384471

O=[N+]([O-])c1ccc(OC2CCN(C3CC3)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSPB1 P04792 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 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
SCHEMBL738890 0.95 HRH3 (0.55) HRH3KCNH2MAPTMEN1KMT2A
SCHEMBL30114540 0.86 HSPB1 (0.51) MAPTMEN1KMT2AHSPB1ALDH1A1
SCHEMBL2814281 0.85 MAPT (0.48) HRH3MAPTMEN1KMT2AHSPB1
SCHEMBL12094284 0.85 MAPT (0.48) MAPTMEN1KMT2AHSPB1ALDH1A1
SCHEMBL3882524 0.83 HSPB1 (0.49) MAPTMEN1KMT2AHSPB1ALDH1A1
SCHEMBL1749145 0.83 HSPB1 (0.49) MAPTMEN1KMT2AHSPB1ALDH1A1
SCHEMBL6121095 0.83 MAPT (0.46) HRH3MAPTMEN1KMT2AHSPB1
SCHEMBL17654114 0.83 MAPT (0.66) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL2811370 0.83 HRH3 (0.54) HRH3MAPTMEN1KMT2AHSPB1
SCHEMBL739186 0.82 GPR119 (0.43) MAPTMEN1KMT2AHSPB1ALDH1A1

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 HRH3 476/4885KCNH2 2279/4885MAPT 4034/4885

“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.