SCHEMBL13624972

SCHEMBL13624972

N=C/C=C\Nc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ GFER P55789 2/20 0.51
▸ TDP1 Q9NUW8 7/20 0.49
▸ GAA P10253 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CYP3A4 P08684 3/20 0.45
▸ THRB P10828 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPC1 O15118 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
SCHEMBL2627170 0.82 MAPT (0.48) MAPTMEN1KMT2ATDP1GAA
SCHEMBL13624973 0.76 GAA (0.33) MAPTTDP1GAAALDH1A1ALOX15
SCHEMBL18772211 0.74 MAPT (0.50) MAPTMEN1KMT2ATDP1GAA
SCHEMBL17252293 0.73 MAPT (0.61) MAPTMEN1KMT2AGFERTDP1
SCHEMBL29622946 0.73 MAPT (0.61) MAPTMEN1KMT2AGFERTDP1
SCHEMBL211286 0.73 MAPT (0.61) MAPTMEN1KMT2AGFERTDP1
SCHEMBL29353815 0.69 CYP3A4 (0.69) MAPTMEN1KMT2AGFERTDP1
SCHEMBL78293 0.69 CYP3A4 (0.69) MAPTMEN1KMT2AGFERTDP1
SCHEMBL4978573 0.69 MAPT (0.56) MAPTMEN1KMT2AGFERTDP1
SCHEMBL17187172 0.69 LMNA (0.59) MAPTMEN1KMT2AGFERTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 — — US disclosed
WO-2009136995-A2 INHIBITORS OF SYK PROTEIN KINASE PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-12 — — 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 MAPT 2053/4885MEN1 1067/4885KMT2A 3316/4885

“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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