SCHEMBL4235162

SCHEMBL4235162

O=C(O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.70
KMT2A Q03164 13/20 0.70
POLB P06746 8/20 0.70
CASP6 P55212 4/20 0.70
L3MBTL1 Q9Y468 4/20 0.70
TLR9 Q9NR96 3/20 0.70
NPC1 O15118 5/20 0.68
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 2/20 0.67
NPSR1 Q6W5P4 5/20 0.64
MAPT P10636 4/20 0.64
HTT P42858 4/20 0.64
MCL1 Q07820 1/20 0.64
RAB9A P51151 2/20 0.60
TDP1 Q9NUW8 3/20 0.58
S1PR4 O95977 2/20 0.55
S1PR1 P21453 2/20 0.55
HPGD P15428 1/20 0.55
XBP1 P17861 1/20 0.55
CCR6 P51684 1/20 0.55

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
SCHEMBL6037133 0.92 MEN1 (0.68) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5157137 0.91 MEN1 (0.64) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL4233357 0.88 MEN1 (0.70) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL16213360 0.85 KMT2A (0.68) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL8290567 0.83 MEN1 (0.63) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL14510361 0.82 MEN1 (0.77) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL4231252 0.82 TYMS (0.65) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL14172750 0.81 KMT2A (0.72) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL5168401 0.81 KMT2A (0.73) MEN1KMT2APOLBCASP6L3MBTL1
SCHEMBL19450676 0.80 MEN1 (0.63) MEN1KMT2APOLBCASP6L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148352-B2 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-12-12 US claimed
US-6468990-B1 ADMINISTERING COMPOUNDS HAVING ELECTRONEGATIVE GROUPS WHICH INTERACT WITH CERTAIN LYSINE RESIDUES IN NERVE GROWTH FACTOR AND/OR HYDROPHOBIC MOIETY WHICH INTERACTS WITH HYDROPHOBIC REGION FORMED BY CERTAIN ISOLEUCINE AND PHENYLALANINE RESIDUES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-22 US claimed
US-20090215814-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-08-27 US disclosed
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-04-05 US disclosed
US-7148352-B2 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-12-12 US disclosed
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding MINE SAFETY APPLIANCES COMPANY 2003-10-02 US disclosed
US-6468990-B1 ADMINISTERING COMPOUNDS HAVING ELECTRONEGATIVE GROUPS WHICH INTERACT WITH CERTAIN LYSINE RESIDUES IN NERVE GROWTH FACTOR AND/OR HYDROPHOBIC MOIETY WHICH INTERACTS WITH HYDROPHOBIC REGION FORMED BY CERTAIN ISOLEUCINE AND PHENYLALANINE RESIDUES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-10-22 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 (3 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-20090215814-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF MEN1 3489/4885KMT2A 3466/4885POLB 2851/4885
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF MEN1 3489/4885KMT2A 3466/4885POLB 2851/4885
US-20030186901-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF MEN1 3799/4885KMT2A 3385/4885POLB 3115/4885

“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.