SCHEMBL3869151

SCHEMBL3869151

CC(C)(CN)Nc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOA P21397 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADORA2A P29274 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37

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
SCHEMBL8725659 0.88 SMN1; SMN2 (0.44) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8726039 0.85 ATM (0.51) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL201873 0.83 MAPT (0.40) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1043132 0.80 MEN1 (0.41) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL14345152 0.80 MEN1 (0.43) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9602762 0.78 KMT2A (0.49) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL18587552 0.78 MAPT (0.50) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1231978 0.78 GRM5 (0.40) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9836946 0.78 KMT2A (0.46) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5794757 0.78 MEN1 (0.41) MAPK1SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 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 (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-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, EIF2AK2 MAPK1 1465/4885SMN1; SMN2 3782/4885MEN1 2917/4885

“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.