SCHEMBL2230620

SCHEMBL2230620

O=C(NO)c1cc2ncccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.60
HRH4 Q9H3N8 1/20 0.53
DAO P14920 1/20 0.51
ATAD2 Q6PL18 1/20 0.47
RBP4 P02753 1/20 0.42
IDO1 P14902 1/20 0.42
DRD3 P35462 2/20 0.41
DRD2 P14416 1/20 0.41
PTPN11 Q06124 3/20 0.41
HDAC6 Q9UBN7 4/20 0.41
RHEB Q15382 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL31026513 1.00 CNR2 (0.60) CNR2HRH4DAOATAD2RBP4
SCHEMBL30980407 0.86 CNR2 (0.59) CNR2HRH4DAOATAD2RBP4
SCHEMBL1439839 0.86 CNR2 (0.59) CNR2HRH4DAOATAD2RBP4
SCHEMBL30147746 0.86 CNR2 (0.59) CNR2HRH4DAOATAD2RBP4
SCHEMBL1203267 0.81 HRH4 (0.57) CNR2HRH4DAOATAD2RBP4
SCHEMBL29414319 0.81 HRH4 (0.57) CNR2HRH4DAOATAD2RBP4
Hydrochloric Acid SCHEMBL28102419 0.81 HRH4 (0.57) CNR2HRH4DAOATAD2RBP4
SCHEMBL1194081 0.80 HRH4 (0.56) CNR2HRH4DAOATAD2RBP4
SCHEMBL4407862 0.80 HRH4 (0.59) CNR2HRH4DAOATAD2RBP4
SCHEMBL30052471 0.80 HRH4 (0.59) CNR2HRH4DAOATAD2RBP4

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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2011-10-27 US disclosed
EP-2341904-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS Fibrogen, Inc. (US) 2011-07-13 EP disclosed
WO-2010024908-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS FIBROGEN, INC. (US) 2010-03-04 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-20110263642-A1 METHODS FOR TREATMENT OF MULTIPLE SCLEROSIS PMP22, MAG, NEFM CNR2 110/4885HRH4 243/4885DAO 1226/4885

“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.