SCHEMBL6098673

SCHEMBL6098673

O=[N+]([O-])c1cnc2ccccc2c1NCCCCCCCCCCNc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
BCHE P06276 4/20 0.51
ACHE P22303 4/20 0.51
ADRA1A P35348 2/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
MAOA P21397 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADORA2A P29274 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL5361174 0.95 ADRA1A (0.49) MAPTMEN1KMT2ATDP1BCHE
SCHEMBL4314418 0.95 ADRA1A (0.49) MAPTMEN1KMT2ATDP1BCHE
SCHEMBL10587724 0.94 SMN1; SMN2 (0.51) MAPTMEN1KMT2ATDP1BCHE
SCHEMBL4143499 0.94 MAPT (0.50) MAPTMEN1KMT2ATDP1BCHE
SCHEMBL4316365 0.94 MAPT (0.50) MAPTMEN1KMT2ATDP1BCHE
SCHEMBL9602005 0.94 SMN1; SMN2 (0.51) MAPTMEN1KMT2ATDP1BCHE
SCHEMBL4321129 0.93 ADRA1A (0.50) MAPTMEN1KMT2ATDP1BCHE
SCHEMBL8596001 0.92 SMN1; SMN2 (0.49) MAPTMEN1KMT2ATDP1BCHE
SCHEMBL1335235 0.92 POLB (0.51) MAPTMEN1KMT2ATDP1BCHE
SCHEMBL5358407 0.92 CHRM2 (0.48) MAPTMEN1KMT2ATDP1BCHE

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-7112677-B2 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-09-26 US disclosed
US-20050026947-A1 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY 2005-02-03 US disclosed
US-6818650-B2 1H-IMIDAZO(4,5-C)- QUINOLINE OR -PYRIDINE DERIVATIVES; INDUCE BIOSYNTHESIS OF CYTOKINES; VIRAL DISEASES; ANTICARCINOGENIC AND ANTITUMOR AGENTS; IMMUNOMODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-11-16 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-20050026947-A1 1H-imidazo dimers IL2, EIF2AK2, IRF3 MAPT 3231/4885MEN1 2633/4885KMT2A 2757/4885

“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.