SCHEMBL4130362

SCHEMBL4130362

CC(C)C[C@@H](C(N)=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)CCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
NNMT P40261 1/20 0.34
TLR4 O00206 2/20 0.33
MAOA P21397 1/20 0.33
EPHX2 P34913 1/20 0.33
CCR2 P41597 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BMP1 P13497 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR3 P49682 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
SCHEMBL4140703 0.91 TRPV4 (0.37) CCR2BMP1ALDH1A1CCR1ADAM17
SCHEMBL5435367 0.87 BMP1 (0.40) MEN1KMT2AKDM4EBMP1ALDH1A1
SCHEMBL4141257 0.86 CCR1 (0.41) CCR2MAPTBMP1ALDH1A1CCR1
SCHEMBL4145546 0.85 CCR1 (0.35) LMNAMAPTBMP1ALDH1A1HTT
SCHEMBL4141037 0.84 BMP1 (0.37) MAPTBMP1SMN1; SMN2CCR1ADAM17
SCHEMBL4130365 0.80 CAPN1 (0.43) EPHX2LMNAMEN1KMT2AL3MBTL1
SCHEMBL5439390 0.80 BMP1 (0.36) CCR2MAPTMEN1KMT2AKDM4E
SCHEMBL4130817 0.79 CCR1 (0.38) TLR4EPHX2BMP1NPC1ALDH1A1
SCHEMBL4140995 0.78 CCR1 (0.38) TLR4EPHX2BMP1NPC1ALDH1A1
SCHEMBL4136278 0.78 BMP1 (0.39) LMNAMEN1KMT2AKDM4EBMP1

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 POLB 4857/4885NNMT 2475/4885TLR4 77/4885

“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.