SCHEMBL2708359

SCHEMBL2708359

O=[N+]([O-])c1c(NO)ccnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
MAPT P10636 5/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 5/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
PKM P14618 2/20 0.34
HSP90AA1 P07900 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12138409 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL563456 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL563457 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL18803141 0.79 ALDH1A1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL7946537 0.79 MEN1 (0.36) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL7885090 0.79 LMNA (0.41) ALDH1A1LMNASMN1; SMN2CA1CA2
SCHEMBL1135488 0.77 GPR35 (0.44) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL28908267 0.76 LMNA (0.38) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL202927 0.76 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2NPC1
SCHEMBL29467174 0.76 ALDH1A1 (0.46) ALDH1A1LMNAHTTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789042-B1 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2012-05-02 EP disclosed
US-7579359-B2 1-alkoxy 1H-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-08-25 US disclosed
EP-1789042-A4 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
US-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
EP-1789042-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-30 EP disclosed
WO-2006028962-A2 1-ALKOXY 1H-IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 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-20090005376-A1 imidazonaphthyridines, imidazopyridines, imidazoquinolines, and imidazote-trahydroquinolines; immunomodulators for inducing cytokine biosynthesis; for treatment of viral and neoplastic diseases IL2, IL4, IRF3 ALDH1A1 1123/4885LMNA 4281/4885HTT 3643/4885

“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.