SCHEMBL3000197

SCHEMBL3000197

Oc1cccc2[nH]c(CC3N=NN=N3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
HRH4 Q9H3N8 1/20 0.35
DAO P14920 4/20 0.34
DDO Q99489 3/20 0.34
RHEB Q15382 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
AR P10275 1/20 0.32
CA1 P00915 2/20 0.31

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
SCHEMBL5771313 0.78 GRIN2D (0.49) IDO1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5770077 0.76 GRIN2D (0.39) IDO1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5768535 0.75 RHEB (0.51) IDO1IMPDH2IMPDH1HRH4DAO
SCHEMBL2000625 0.74 LOXL2 (0.53) IDO1HRH4MTNR1AMTNR1B
SCHEMBL28352953 0.74 IMPDH2 (0.43) IDO1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5769848 0.74 DAO (0.50) IDO1IMPDH2IMPDH1HRH4DAO
SCHEMBL8088130 0.71 CTSV (0.44) IDO1IMPDH2IMPDH1HRH4DAO
SCHEMBL30120739 0.71 HTR2C (0.45) IDO1IMPDH2IMPDH1HRH4DAO
SCHEMBL9534359 0.70 KDM4E (0.46) IDO1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9587971 0.70 ASH1L (0.44) IDO1IMPDH2IMPDH1HRH4DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 IDO1 1/4885GRIN2D 1616/4885GRIN3B 625/4885

“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.