SCHEMBL4628704

SCHEMBL4628704

CC(C)(C)c1ccc(N=C(N)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
SLC22A3 O75751 1/20 0.44
P2RX7 Q99572 7/20 0.42
P2RX4 Q99571 5/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
P2RX2 Q9UBL9 4/20 0.41
P2RX5 Q93086 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD11B1 P28845 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 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
SCHEMBL4629447 0.82 SCN5A (0.52) MEN1KMT2AP2RX7P2RX4PRSS1
SCHEMBL4629433 0.74 SCN2A (0.57) EPHX2
SCHEMBL4628698 0.73 P2RX7 (0.54) MEN1KMT2AP2RX7P2RX4P2RX2
SCHEMBL4629231 0.69 SCN2A (0.69) SLC22A2SLC22A1SLC22A3PRSS1ACR
SCHEMBL4629412 0.69 P2RX4 (0.56) MEN1KMT2AP2RX7P2RX4P2RX2
SCHEMBL4628728 0.69 SCN2A (0.52) P2RX7P2RX4ALDH1A1LMNAKDM4E
SCHEMBL1976671 0.69 KMT2A (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HSD11B1
SCHEMBL4627551 0.69 POLB (0.59) MEN1KMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL4628685 0.68 ALDH1A1 (0.56) MEN1KMT2ASLC22A2SLC22A1SLC22A3
SCHEMBL1976672 0.66 CYP17A1 (0.48) MEN1KMT2AP2RX2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA MEN1 1819/4885KMT2A 3245/4885SLC22A2 1509/4885

“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.