SCHEMBL4943658

SCHEMBL4943658

COC(=O)c1ccc(-c2cc(Br)ccc2OC)o1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.67
ALDH1A1 P00352 6/20 0.55
HPGD P15428 4/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
S1PR4 O95977 2/20 0.46
SETD7 Q8WTS6 1/20 0.46
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
FBP1 P09467 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL4943003 0.84 ALDH1A1 (0.76) SLC9A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL4943636 0.83 SLC9A1 (0.67) SLC9A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL4944323 0.83 ALDH1A1 (0.77) SLC9A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL4941055 0.81 SLC9A1 (0.64) SLC9A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL4941063 0.80 SLC9A1 (1.00) SLC9A1
SCHEMBL4937754 0.79 ALDH1A1 (0.74) SLC9A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL21981938 0.76 HTT (0.67) ALDH1A1HPGDMAPTKDM4ESETD7
SCHEMBL4941139 0.72 ALDH1A1 (0.56) SLC9A1ALDH1A1HPGDMAPTKDM4E
SCHEMBL14125145 0.72 GAA (0.56) SLC9A1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL392403 0.72 ALDH1A1 (0.59) ALDH1A1HPGDMAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351843-B2 Furancarbonylguanidine derivatives, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-04-01 US disclosed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 US disclosed
EP-1697335-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-09-06 EP disclosed
WO-2005063727-A1 FURANCARBONYLGUANIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-07-14 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-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 SLC9A1 1/4885ALDH1A1 297/4885HPGD 242/4885

“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.