SCHEMBL1973255

SCHEMBL1973255

O=C(O)N(c1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.39
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
RAB9A P51151 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
KIF11 P52732 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CRHBP P24387 1/20 0.37
ATM Q13315 1/20 0.37
CRHR2 Q13324 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL1973258 1.00 MMP1 (0.39) MMP1P2RX1TMPRSS4RAB9AMMP2
SCHEMBL1970978 0.87 ALDH1A1 (0.45) MEN1KMT2AALDH1A1CRHBPATM
SCHEMBL1973054 0.85 P2RX1 (0.40) MMP1P2RX1TMPRSS4RAB9AKIF11
SCHEMBL15397513 0.85 P2RX1 (0.39) MMP1P2RX1TMPRSS4RAB9AKIF11
SCHEMBL1973049 0.85 P2RX1 (0.40) MMP1P2RX1TMPRSS4RAB9AKIF11
SCHEMBL15397511 0.85 P2RX1 (0.39) MMP1P2RX1TMPRSS4RAB9AKIF11
SCHEMBL17766705 0.84 MMP1 (0.47) MMP1RAB9AKIF11MEN1KMT2A
SCHEMBL29182467 0.78 ALDH1A1 (0.57) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL21247872 0.73 ALDH1A1 (0.67) RAB9AMEN1KMT2ALMNAMAPT
SCHEMBL20568892 0.72 NOTUM (0.46) P2RX1TMPRSS4LMNAL3MBTL1

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-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP 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 MMP1 4485/4885P2RX1 1137/4885TMPRSS4 1794/4885

“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.