SCHEMBL4945642

SCHEMBL4945642

COC(=O)c1ccc(-c2cc(F)cc(F)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.57
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
SETD7 Q8WTS6 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL4949353 0.86 NR4A1 (0.70) SLC9A1NR4A1NR4A2NR4A3HTT
SCHEMBL4946307 0.85 LMNA (0.57) SLC9A1LMNAHTTSETD7CYP1A2
SCHEMBL23091199 0.84 CYP1A2 (0.61) SLC9A1NR4A1NR4A2NR4A3LMNA
SCHEMBL23091160 0.84 HDAC4 (0.52) SLC9A1NR4A1NR4A2NR4A3LMNA
SCHEMBL21981938 0.82 HTT (0.67) LMNAHTTSETD7CYP1A2CYP2C19
SCHEMBL22067542 0.81 KDM4E (0.50) NR4A1NR4A2NR4A3HTTSETD7
SCHEMBL4942898 0.81 SLC9A1 (0.59) SLC9A1LMNAHTTSETD7CYP1A2
SCHEMBL4942973 0.80 SLC9A1 (0.57) SLC9A1LMNAHTTSETD7CYP1A2
SCHEMBL23222388 0.78 HDAC4 (0.49) SLC9A1NR4A1NR4A2NR4A3LMNA
SCHEMBL3059132 0.77 ALDH1A1 (0.62) SLC9A1LMNAHTTSETD7CYP1A2

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 1/4885NR4A1 4396/4885NR4A2 4318/4885

“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.