SCHEMBL2709157

SCHEMBL2709157

CCCc1nc2c[n+]([O-])c3ccccc3c2n1OCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
CNR2 P34972 2/20 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
SCHEMBL2709485 0.79 TLR7 (0.39) MEN1KMT2AKDM4EHSD17B10BLM
SCHEMBL4155789 0.76 KMT2A (0.42) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL4146569 0.74 CTNNB1 (0.48) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL2706417 0.74 TLR7 (0.59) TLR7
SCHEMBL1960054 0.73 TLR7 (0.42) ALDH1A1KDM4ETLR7LMNAHTT
SCHEMBL4139564 0.73 SMN1; SMN2 (0.40) SMN1; SMN2TLR7LMNAHTT
SCHEMBL4144323 0.73 FAAH (0.46) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL4148442 0.72 SMN1; SMN2 (0.42) SMN1; SMN2TLR7LMNAHTTCNR2
SCHEMBL5617579 0.71 SMN1; SMN2 (0.37) MEN1KMT2ABLMSMN1; SMN2TLR7
SCHEMBL4153678 0.71 LMNA (0.36) MEN1KMT2AALDH1A1KDM4EHSD17B10

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 MEN1 3292/4885KMT2A 2652/4885ALDH1A1 1123/4885

“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.