SCHEMBL556964

SCHEMBL556964

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ MGLL Q99685 2/20 0.45
▸ FAAH O00519 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL31548905 0.94 KMT2A (0.46) KMT2AMGLLFAAHTRPV1MEN1
SCHEMBL3829326 0.89 MGLL (0.54) KMT2AMGLLFAAHTRPV1EPHX2
SCHEMBL30678099 0.88 KMT2A (0.45) KMT2AMGLLFAAHTRPV1EPHX2
SCHEMBL7912741 0.87 KMT2A (0.53) KMT2AMGLLFAAHTRPV1EPHX2
SCHEMBL3795684 0.85 KMT2A (0.59) KMT2AMEN1EPHX2MAPTRAB9A
SCHEMBL14966279 0.85 HTR2A (0.44) KMT2AMGLLEPHX2HTR2AMAPT
SCHEMBL30538270 0.84 MGLL (0.44) KMT2AMGLLFAAHTRPV1MEN1
SCHEMBL31476468 0.83 KMT2A (0.42) KMT2AMGLLEPHX2HTR2AMAPT
SCHEMBL14685603 0.83 KMT2A (0.56) KMT2AMGLLFAAHTRPV1EPHX2
SCHEMBL30242885 0.83 KMT2A (0.56) KMT2AMGLLFAAHTRPV1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 — — US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 — — US disclosed
WO-2010118309-A2 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-14 — — 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 KMT2A 2506/4885MGLL 4616/4885FAAH 4814/4885

“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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