SCHEMBL1949232

SCHEMBL1949232

O=C(O)NCCNc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 3/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADORA2A P29274 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL1949229 1.00 ALDH1A1 (0.48) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL1951779 0.93 MAPT (0.51) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL1949224 0.93 HPGD (0.50) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL1949226 0.93 HPGD (0.50) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL1951777 0.93 MAPT (0.51) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL22347111 0.90 MAPT (0.44) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL3870214 0.86 KMT2A (0.43) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL20447980 0.86 GRM5 (0.48) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL6493971 0.85 POLB (0.54) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL3864107 0.84 PTGES (0.40) ALDH1A1MAPTHPGDLMNAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507237-A1 IMIDAZOQUINOLINES WHICH ACT VIA TOLL - LIKE RECEPTORS (TLR) Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-10-10 EP disclosed
WO-2011068233-A1 IMIDAZOQUINOLINES WHICH ACT VIA TOLL - LIKE RECEPTORS (TLR) DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-06-09 WO disclosed
US-20110136801-A1 Novel Compounds DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2011-06-09 US disclosed
WO-2006009832-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 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-20110136801-A1 Novel Compounds C1R, RB1, CNKSR1 ALDH1A1 173/4885MAPT 3434/4885HPGD 4048/4885

“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.