SCHEMBL1971193

SCHEMBL1971193

CN(C(=O)N(C)[C@@H]1C(c2ccc([N+](=O)[O-])cc2)N(C(=O)O)C[C@H]1c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 8/20 0.46
TACR1 P25103 8/20 0.46
TACR3 P29371 4/20 0.46
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
HSD11B1 P28845 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL1969933 0.88 TACR1 (0.47) TACR2TACR1TACR3
SCHEMBL1972201 0.81 TACR1 (0.51) TACR2TACR1TACR3MEN1KMT2A
SCHEMBL1971192 0.76 TACR3 (0.58) TACR2TACR1TACR3
SCHEMBL1969444 0.75 TACR1 (0.47) TACR2TACR1TACR3
SCHEMBL15397585 0.73 TACR3 (0.72) TACR2TACR1TACR3
SCHEMBL1970748 0.70 TACR1 (0.40) TACR2TACR1TACR3
SCHEMBL1972390 0.70 TACR1 (0.54) TACR2TACR1TACR3
SCHEMBL1969485 0.69 TACR1 (0.53) TACR2TACR1TACR3
SCHEMBL1971116 0.69 TACR1 (0.53) TACR2TACR1TACR3
SCHEMBL1968646 0.69 TACR1 (0.53) TACR2TACR1TACR3

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-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 TACR2 29/4885TACR1 13/4885TACR3 82/4885

“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.