SCHEMBL4450971

SCHEMBL4450971

CNC(=O)C(NC(=O)c1cc(C(C)(C)C)nc(C(C)(C)C)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.52
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
MTTP P55157 2/20 0.50
CNR2 P34972 1/20 0.42
MMP1 P03956 5/20 0.42
MMP3 P08254 5/20 0.42
MMP2 P08253 5/20 0.42
MMP9 P14780 5/20 0.42
MMP14 P50281 4/20 0.42
S1PR3 Q99500 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL4450969 1.00 TACR3 (0.52) TACR3LMNAMEN1MAPK1KMT2A
SCHEMBL4448206 0.87 MTTP (0.52) TACR3LMNAMEN1MAPK1KMT2A
SCHEMBL4448204 0.87 MTTP (0.52) TACR3LMNAMEN1MAPK1KMT2A
SCHEMBL4446676 0.85 LMNA (0.49) TACR3LMNAMEN1MAPK1KMT2A
SCHEMBL4446680 0.85 LMNA (0.49) TACR3LMNAMEN1MAPK1KMT2A
SCHEMBL4444765 0.80 S1PR3 (0.56) TACR3LMNAMMP1MMP3MMP2
SCHEMBL4447516 0.79 TNFRSF1A (0.47) TACR3LMNAMEN1KMT2AMTTP
SCHEMBL4447518 0.79 TNFRSF1A (0.47) TACR3LMNAMEN1KMT2AMTTP
SCHEMBL4450275 0.79 TNFRSF1A (0.47) TACR3LMNAMEN1KMT2AMTTP
SCHEMBL4443046 0.79 ALDH1A1 (0.51) TACR3LMNAMMP1MMP3MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012010-A1 Amino acid derivatives as calcium channel blockers NEUROMED PHRAMACEUTICALS LTD. (CA) 2009-01-08 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 (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-20090012010-A1 Amino acid derivatives as calcium channel blockers CACNA1G, CACNA1H, CACNA1I TACR3 556/4885LMNA 1070/4885MEN1 1973/4885

“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.