SCHEMBL3829326

SCHEMBL3829326

O=C(NCCNC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ FAAH O00519 2/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ EPHX2 P34913 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BCL9 O00512 1/20 0.39
▸ CTNNB1 P35222 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
SCHEMBL7912741 0.90 KMT2A (0.53) MGLLKMT2AFAAHTRPV1EPHX2
SCHEMBL556964 0.89 KMT2A (0.49) MGLLKMT2AFAAHTRPV1EPHX2
SCHEMBL14685603 0.89 KMT2A (0.56) MGLLKMT2AFAAHTRPV1EPHX2
SCHEMBL30242885 0.89 KMT2A (0.56) MGLLKMT2AFAAHTRPV1EPHX2
SCHEMBL30538270 0.88 MGLL (0.44) MGLLKMT2AFAAHTRPV1EPHX2
SCHEMBL31548905 0.86 KMT2A (0.46) MGLLKMT2AFAAHTRPV1EPHX2
SCHEMBL30355283 0.85 CASP3 (0.45) MGLLKMT2AEPHX2MAPTHTT
SCHEMBL25357185 0.84 TGM2 (0.51) MGLLKMT2A
SCHEMBL25357181 0.84 TGM2 (0.51) MGLLKMT2A
SCHEMBL25357858 0.84 TGM2 (0.51) MGLLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771440-A4 GENERIC PROBES FOR THE DETECTION OF PHOSPHORYLATED SEQUENCES AMGEN INC (US) 2009-09-02 — — EP disclosed
US-20080070843-A1 PROTEIN KINASE INHIBITORS COMPRISING ATP MIMETICS CONJUGATED TO PEPTIDES OR PEPTIDOMIMETICS CUREGENICS LTD. 2008-03-20 — — US disclosed
EP-1771440-A1 GENERIC PROBES FOR THE DETECTION OF PHOSPHORYLATED SEQUENCES Amgen, Inc (US) 2007-04-11 — — EP disclosed
US-20060089414-A1 Generic probes for the detection of phosphorylated sequences AMGEN INC. 2006-04-27 — — US disclosed
WO-2006014645-A1 GENERIC PROBES FOR THE DETECTION OF PHOSPHORYLATED SEQUENCES AMGEN INC. (US) 2006-02-09 — — 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 (2 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-20080070843-A1 PROTEIN KINASE INHIBITORS COMPRISING ATP MIMETICS CONJUGATED TO PEPTIDES OR PEPTIDOMIMETICS ADK, PRKCQ, IAPP MGLL 3688/4885KMT2A 2580/4885FAAH 2400/4885
US-20060089414-A1 Generic probes for the detection of phosphorylated sequences ACP1, PTPRG, PTPRF MGLL 3993/4885KMT2A 2775/4885FAAH 4656/4885

“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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