SCHEMBL4136473

SCHEMBL4136473

Cc1cc(Cl)ccc1OCC(=O)N[C@@H](CC(C)C)C(=O)NCCCCNS(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRPV4 Q9HBA0 2/20 0.44
LMNA P02545 5/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 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
SCHEMBL4127510 0.93 TRPV4 (0.47) HTTMAPTL3MBTL1TP53SMN1; SMN2
SCHEMBL4140851 0.90 TRPV4 (0.48) HTTMAPTL3MBTL1TP53SMN1; SMN2
SCHEMBL4133461 0.88 TRPV4 (0.47) HTTMAPTL3MBTL1SMN1; SMN2TRPV4
SCHEMBL4135455 0.87 TRPV4 (0.50) MAPTL3MBTL1TRPV4LMNAMEN1
SCHEMBL4139657 0.81 CAPN1 (0.51) MAPTTRPV4ALDH1A1HPGDGAA
SCHEMBL13872605 0.81 BMP1 (0.46) MAPTTRPV4LMNAALDH1A1GAA
SCHEMBL4147709 0.78 TRPV4 (0.44) TRPV4
SCHEMBL4140786 0.77 TRPV4 (0.44) TRPV4
SCHEMBL4139661 0.77 TRPV4 (0.42) HTTMAPTL3MBTL1TP53NPSR1
SCHEMBL4131282 0.76 TRPV4 (0.44) MAPTTRPV4LMNAMEN1KMT2A

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
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 HTT 1977/4885MAPT 2159/4885L3MBTL1 3940/4885

“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.