SCHEMBL13091471

SCHEMBL13091471

O=CC1COc2ccccc2CN1P

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.38
▸ HTR1A P08908 2/20 0.36
▸ TP53 P04637 3/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13091470 0.82 SIGMAR1 (0.34) SIGMAR1HTR1ATP53NISCHALDH1A1
SCHEMBL13091462 0.75 SIGMAR1 (0.38) SIGMAR1HTR1ATP53NISCHALDH1A1
SCHEMBL13091474 0.74 FFAR2 (0.46) SIGMAR1HTR1ATP53ALDH1A1THRB
SCHEMBL13091467 0.73 SIGMAR1 (0.36) SIGMAR1HTR1ATP53OPRM1OPRL1
SCHEMBL13091472 0.72 HTT (0.50) SIGMAR1HTR1ATP53ALDH1A1THRB
SCHEMBL833089 0.71 NISCH (0.42) SIGMAR1HTR1ATP53NISCH
SCHEMBL28869631 0.68 SIGMAR1 (0.46) SIGMAR1HTR1ATP53NISCHOPRM1
SCHEMBL6554292 0.64 SIGMAR1 (0.51) SIGMAR1HTR1ATP53ALDH1A1HPGD
SCHEMBL18733781 0.64 DRD2 (0.38) SIGMAR1HTR1ATP53DRD2DRD1
SCHEMBL15222074 0.64 SMN1; SMN2 (0.41) SIGMAR1ALDH1A1

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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 — — 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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SSB, RORC, OXA1L SIGMAR1 3790/4885HTR1A 4293/4885TP53 3793/4885

“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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