SCHEMBL1972037

SCHEMBL1972037

CC(C)(C)C1[C@@H](NC(=O)Nc2cc(Br)cc(Br)c2)[C@H](c2ccc(F)cc2)CN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.37
FPR1 P21462 2/20 0.35
MAPK14 Q16539 2/20 0.34
EPHX2 P34913 2/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
EPHX1 P07099 1/20 0.33
CCKBR P32239 2/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL1966863 0.93 KDR (0.38) FPR2MAPTXBP1HTT
SCHEMBL1973524 0.88 MEN1 (0.37) FPR2FPR1EPHX2RAB9AMEN1
SCHEMBL1970589 0.87 TACR1 (0.41) MAPTXBP1HTT
SCHEMBL1972469 0.87 TACR1 (0.41) MAPTXBP1HTT
SCHEMBL1968873 0.87 TACR1 (0.41) MAPTXBP1HTT
SCHEMBL1968062 0.83 UBE2M (0.38) FPR2MEN1MAPTXBP1HTT
SCHEMBL2217579 0.78 MAPT (0.38) EPHX2NPC1RAB9AMEN1MAPT
SCHEMBL1971127 0.76 FPR1 (0.38) FPR2FPR1EPHX2MEN1MAPT
SCHEMBL1970104 0.76 MCHR1 (0.38) EPHX2MAPT
SCHEMBL1969199 0.76 TACR1 (0.42)

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 FPR2 89/4885FPR1 76/4885MAPK14 1443/4885

“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.