SCHEMBL4289575

SCHEMBL4289575

O=C(O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CSc2ccccc2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
USP19 O94966 1/20 0.31
KMT2A Q03164 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
SCHEMBL4285126 0.92 HCRTR1 (0.34) ALDH1A1TSHRCA1CA2CA4
SCHEMBL4283871 0.88 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL4296474 0.88 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL4283733 0.88 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL4289518 0.88 CA1 (0.44) CA1CA2CA4CA9HCRTR1
SCHEMBL4287693 0.86 CA1 (0.36) CA1CA2CA4CA9HCRTR1
SCHEMBL4281555 0.86 CHRNA7 (0.39)
SCHEMBL4281927 0.86 CA1 (0.41) ALDH1A1CA1CA2CA4CA9
SCHEMBL4293415 0.85 HCRTR1 (0.44) ALDH1A1HCRTR1HCRTR2NPC1RAB9A
SCHEMBL4290846 0.85 CA1 (0.35) CA1CA2CA4CA9HCRTR1

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885TSHR 3226/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885TSHR 3226/4885CA1 2275/4885

“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.