SCHEMBL4628458

SCHEMBL4628458

CN(C(=N)NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(I)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
P2RX2 Q9UBL9 4/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX7 Q99572 7/20 0.39
EPHX2 P34913 1/20 0.38
ALOX12 P18054 1/20 0.38
P2RX4 Q99571 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR2 P34972 1/20 0.38
P2RX5 Q93086 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL5997371 0.72 SIGMAR1 (0.48) P2RX2LMNAP2RX7EPHX2SMN1; SMN2
SCHEMBL5283887 0.71 SCN2A (0.56) ALDH1A1NPSR1SMN1; SMN2
SCHEMBL4628691 0.70 SCN2A (0.44) ALDH1A1LMNANPSR1ALOX12SMN1; SMN2
SCHEMBL4629451 0.69 SMN1; SMN2 (0.49) ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4628586 0.69 NPC1 (0.41) ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL4629476 0.68 SCN2A (0.42) ALDH1A1HPGD
SCHEMBL4627528 0.67 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL2094143 0.66 SCN2A (0.51) ALDH1A1
SCHEMBL2094148 0.66 SCN2A (0.51) ALDH1A1
SCHEMBL3455674 0.64 HSD11B1 (0.49) USP2ALDH1A1LMNANPSR1P2RX7

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 5 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
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

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 USP2 2726/4885P2RX2 1856/4885ALDH1A1 858/4885

“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.