SCHEMBL948437

SCHEMBL948437

CCCC(=O)NC(C)C(=O)OCc1ncc2n1C(=O)N(C1CCN(C(=O)OC(C)(C)C)CC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
F10 P00742 4/20 0.38
F2 P00734 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
GPR119 Q8TDV5 3/20 0.37
NR3C1 P04150 2/20 0.35
TP53 P04637 1/20 0.35
YAP1 P46937 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL948435 0.86 F2 (0.37) L3MBTL1F10F2MEN1KMT2A
SCHEMBL948908 0.84 L3MBTL1 (0.37) L3MBTL1F10F2MEN1ALDH1A1
SCHEMBL948092 0.81 TP53 (0.44) F10F2GPR119NR3C1TP53
SCHEMBL947848 0.81 F2 (0.35) L3MBTL1F10F2MEN1KMT2A
SCHEMBL947773 0.81 F2 (0.36) F10F2MEN1ALDH1A1KMT2A
SCHEMBL948472 0.80 F10 (0.38) L3MBTL1F10F2MEN1KMT2A
SCHEMBL948379 0.80 F10 (0.37) F10F2MEN1ALDH1A1KMT2A
SCHEMBL947633 0.79 F10 (0.50) F10F2GPR119NR3C1TP53
SCHEMBL948621 0.79 EPHX1 (0.48) L3MBTL1F10F2MEN1ALDH1A1
SCHEMBL950561 0.79 F10 (0.38) F10F2MEN1ALDH1A1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 L3MBTL1 2949/4885F10 545/4885F2 2/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 L3MBTL1 2955/4885F10 490/4885F2 1/4885

“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.