SCHEMBL5625680

SCHEMBL5625680

N=CN(C(=O)O)c1ccc(OCCCBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC1 Q13547 1/20 0.36
ALB P02768 1/20 0.35
LTA4H P09960 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29633133 0.81 L3MBTL1 (0.37) PPARAL3MBTL1HDAC1GAA
SCHEMBL8968174 0.71 SMN1; SMN2 (0.60) L3MBTL1ALDH1A1HDAC1GAASMN1; SMN2
SCHEMBL2530176 0.71 KCNA3 (0.50) L3MBTL1ALDH1A1LTA4HGAAKDM4E
SCHEMBL1925564 0.71 PKM (0.67) L3MBTL1ALDH1A1PKMTP53TSHR
SCHEMBL21518358 0.69 KCNA3 (0.48) L3MBTL1ALDH1A1HDAC1LTA4HKDM4E
SCHEMBL22119988 0.69 FAAH (0.42) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL12321296 0.69 L3MBTL1 (0.55) PPARAL3MBTL1ALDH1A1PKMGAA
SCHEMBL19024978 0.69 GAA (0.58) PPARAL3MBTL1LTA4HPKMGAA
SCHEMBL2763189 0.68 PLA2G4B (0.57) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL11278302 0.68 THRB (0.56) PPARAPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-20050113424-A1 Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD (JP) 2005-05-26 US disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 EP 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-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA PPARA 3811/4885L3MBTL1 3094/4885ALDH1A1 2071/4885

“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.