SCHEMBL12435462

SCHEMBL12435462

O=C(Nc1cc(Br)cc(Br)c1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.51
MAPT P10636 5/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.49
MGLL Q99685 2/20 0.49
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACP1 P24666 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL31707846 0.88 KMT2A (0.59) GAAMAPTHPGDATMMGLL
SCHEMBL31707847 0.88 KMT2A (0.59) GAAMAPTHPGDATMMGLL
SCHEMBL12435452 0.88 P2RX1 (0.49) GAAMAPTHPGDATMMGLL
SCHEMBL3573967 0.85 MAPT (0.66) GAAMAPTATMMGLLKMT2A
SCHEMBL8647443 0.82 KMT2A (0.62) GAAMAPTATMMGLLKMT2A
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.81 ALDH1A1 (0.62) GAAMAPTHPGDATMMGLL
SCHEMBL12694410 0.80 MEN1 (0.63) GAAMAPTHPGDKMT2AMEN1
SCHEMBL12435446 0.80 P2RX1 (0.57) GAAMAPTATMMGLLKMT2A
SCHEMBL8776629 0.79 MAPT (0.59) GAAMAPTATMMGLLKMT2A
SCHEMBL3566164 0.79 KMT2A (0.52) GAAMAPTHPGDATMMGLL

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-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B GAA 4829/4885MAPT 2535/4885HPGD 830/4885

“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.