SCHEMBL13937458

SCHEMBL13937458

Nc1nc2ccccc2c2c1ncn2CCCCNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 5/20 0.47
▸ HDAC3 O15379 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HRH2 P25021 1/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ NUDT1 P36639 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL3862412 0.90 TLR7 (0.53) TLR7HDAC3HDAC1LMNAPOLB
SCHEMBL3866002 0.89 TLR7 (0.53) TLR7HDAC3HDAC1LMNAPOLB
SCHEMBL3863900 0.89 TLR7 (0.53) TLR7HDAC3HDAC1LMNAPOLB
SCHEMBL5748391 0.89 TLR7 (0.53) TLR7HDAC3HDAC1LMNAPOLB
SCHEMBL3863870 0.88 TLR7 (0.51) TLR7HDAC3HDAC1LMNAPOLB
SCHEMBL3867251 0.88 TLR7 (0.51) TLR7HDAC3HDAC1LMNAPOLB
Hydrochloric Acid SCHEMBL3867142 0.88 TLR7 (0.51) TLR7HDAC3HDAC1LMNAPOLB
Hydrochloric Acid SCHEMBL3863251 0.88 TLR7 (0.52) TLR7HDAC3HDAC1LMNAPOLB
SCHEMBL14592812 0.88 KMT2A (0.44) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5908027 0.87 TLR7 (0.52) TLR7HDAC3HDAC1LMNAPOLB

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 2 patents. 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
US-7393859-B2 Amide substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-07-01 — — 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 TLR7 30/4885HDAC3 108/4885HDAC1 89/4885

“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.

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