SCHEMBL16100329

SCHEMBL16100329

COc1ccccc1CC(=O)N1CCn2nc(CCC(=O)O)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ SIGMAR1 Q99720 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ALOX15 P16050 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GRM5 P41594 7/20 0.43
▸ NPC1 O15118 1/20 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
SCHEMBL16100080 0.94 KMT2A (0.47) KMT2AMEN1SIGMAR1KDM4EALDH1A1
SCHEMBL21753820 0.85 KMT2A (0.45) KMT2AMEN1KDM4EALDH1A1GRM5
SCHEMBL21756473 0.83 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1TSHRGRM5
SCHEMBL21753822 0.82 SMN1; SMN2 (0.54) KMT2AMEN1SIGMAR1ALDH1A1LMNA
SCHEMBL21753816 0.82 SIGMAR1 (0.53) KMT2AMEN1SIGMAR1ALDH1A1MAPT
SCHEMBL21753823 0.80 MAPT (0.46) KDM4EALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL21753814 0.80 SMN1; SMN2 (0.51) KMT2AMEN1SIGMAR1ALDH1A1LMNA
SCHEMBL21753809 0.79 SMN1; SMN2 (0.45) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL21753815 0.79 GRM5 (0.49) KMT2AMEN1MAPTGRM5
SCHEMBL16100469 0.77 MEN1 (0.48) KMT2AMEN1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US claimed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 KMT2A 2542/4885MEN1 687/4885SIGMAR1 542/4885

“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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