SCHEMBL2707665

SCHEMBL2707665

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(NO)c2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
APLNR P35414 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
EGFR P00533 1/20 0.40
IGF1R P08069 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL29471043 0.85 NPC1 (0.36) NPC1APLNRLMNAMAPTPOLB
SCHEMBL29471047 0.84 KMT2A (0.44) NPC1LMNAMAPTRAB9AKMT2A
SCHEMBL31146874 0.83 LMNA (0.42) NPC1APLNRLMNAMAPTRAB9A
SCHEMBL2707356 0.79 LMNA (0.45) NPC1APLNRLMNAMAPTRAB9A
SCHEMBL18285474 0.79 KCNH2 (0.41) NPC1KMT2AMEN1KCNH2RPS6KB1
SCHEMBL25981785 0.79 BTK (0.36) POLBEGFRIGF1RHPGDALDH1A1
SCHEMBL18285588 0.78 GFER (0.42) NPC1RAB9AKMT2AHPGDGAA
SCHEMBL28491911 0.78 HRH3 (0.38) LMNAMAPTEGFRIGF1RHPGD
SCHEMBL18285596 0.78 GFER (0.42) NPC1RAB9AKMT2AHPGDGAA
SCHEMBL18285592 0.78 GFER (0.42) NPC1RAB9AKMT2AHPGDGAA

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
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
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

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 NPC1 3978/4885APLNR 3816/4885LMNA 4281/4885

“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.