SCHEMBL4135320

SCHEMBL4135320

COCC(CN(CCCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)C)OC(=O)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BDKRB1 P46663 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4135313 1.00 KMT2A (0.39) KMT2AMEN1HTTNPSR1USP2
SCHEMBL4768084 0.93 MEN1 (0.37) KMT2AMEN1HTTNPSR1USP2
SCHEMBL4140333 0.89 HTT (0.40) KMT2AMEN1HTTUSP2SMN1; SMN2
SCHEMBL4140336 0.89 HTT (0.40) KMT2AMEN1HTTUSP2SMN1; SMN2
SCHEMBL13889917 0.88 LIPG (0.34) KMT2AMEN1HTTMAPTLIPG
SCHEMBL4139482 0.85 LMNA (0.38) HTTSMN1; SMN2LIPGBDKRB1LMNA
SCHEMBL4139487 0.85 LMNA (0.38) HTTSMN1; SMN2LIPGBDKRB1LMNA
SCHEMBL4127774 0.83 KMT2A (0.45) KMT2AMEN1HTTNPSR1SMN1; SMN2
SCHEMBL4136559 0.81 LMNA (0.38) KMT2AMEN1MAPTLMNA
SCHEMBL4136566 0.81 LMNA (0.38) KMT2AMEN1MAPTLMNA

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 2 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

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 KMT2A 2725/4885MEN1 2731/4885HTT 1977/4885

“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.