SCHEMBL3384221

SCHEMBL3384221

O=[N+]([O-])c1ccc2cnn(CC3CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.50
BRD4 O60885 2/20 0.47
NPC1 O15118 1/20 0.45
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
NOS1 P29475 1/20 0.38
NTRK1 P04629 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PDE5A O76074 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
CRHR1 P34998 1/20 0.37
CYP1A2 P05177 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL29375266 0.89 GLS (0.64) GLSBRD4NPC1SIGMAR1MAPT
SCHEMBL2429058 0.89 GLS (0.64) GLSBRD4NPC1SIGMAR1MAPT
SCHEMBL7804085 0.87 GLS (0.44) GLSBRD4NPC1MAPTLMNA
SCHEMBL7805916 0.85 BRD4 (0.43) GLSBRD4NPC1SIGMAR1MAPT
SCHEMBL14966246 0.83 GLS (0.44) GLSBRD4SIGMAR1MAPTPDE5A
SCHEMBL5429188 0.83 GLS (0.60) GLSBRD4NPC1MAPTLMNA
SCHEMBL31251358 0.81 GLS (0.57) GLSMAPTHDAC1HDAC2CYP1A2
SCHEMBL2149894 0.80 GLS (0.55) GLSNPC1MAPTLMNACYP3A4
SCHEMBL20770037 0.80 GLS (0.55) GLSNPC1MAPTLMNACYP3A4
SCHEMBL9551797 0.80 GLS (0.55) GLSNPC1MAPTLMNACYP3A4

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 3 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
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 GLS 2562/4885BRD4 487/4885NPC1 1544/4885

“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.