SCHEMBL3471404

SCHEMBL3471404

O=C(O)Cn1ccc2c(C=NNO)cccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 9/20 0.48
▸ KMT2A Q03164 4/20 0.46
▸ ADCYAP1R1 P41586 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ MAPT P10636 2/20 0.41

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
SCHEMBL3471407 0.73 KMT2A (0.48) KMT2AKDM4EMAPT
SCHEMBL3169119 0.72 KMT2A (0.57) KMT2AKDM4E
SCHEMBL30052151 0.71 KMT2A (0.56) KMT2AKDM4EMEN1MAPT
SCHEMBL13065371 0.71 KMT2A (0.56) KMT2AKDM4EMAPT
SCHEMBL3174313 0.71 KMT2A (0.56) KMT2AKDM4EMEN1MAPT
SCHEMBL12875609 0.71 KMT2A (0.56) KMT2AKDM4EMEN1
SCHEMBL20037232 0.71 KMT2A (0.56) KMT2AKDM4E
SCHEMBL2777064 0.71 STAT3 (0.67) KMT2AKDM4EMEN1PTGDR2MAPT
SCHEMBL15157114 0.68 HTR2C (0.57) KMT2AKDM4E
SCHEMBL8685214 0.68 KMT2A (0.51) KMT2AGAAMEN1

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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 — — 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 GCGR 130/4885KMT2A 2344/4885ADCYAP1R1 171/4885

“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.

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