SCHEMBL4944323

SCHEMBL4944323

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

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
HPGD P15428 3/20 0.77
SLC9A1 P19634 7/20 0.67
S1PR2 O95136 3/20 0.56
S1PR4 O95977 3/20 0.56
S1PR3 Q99500 2/20 0.56
MAPT P10636 3/20 0.55
S1PR1 P21453 1/20 0.52
S1PR5 Q9H228 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PDE7A Q13946 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4941048 0.87 SLC9A1 (0.69) ALDH1A1HPGDSLC9A1S1PR2S1PR4
SCHEMBL4946224 0.87 SLC9A1 (0.69) ALDH1A1HPGDSLC9A1S1PR2S1PR4
SCHEMBL4946520 0.85 S1PR4 (0.62) ALDH1A1SLC9A1S1PR2S1PR4S1PR3
SCHEMBL4943019 0.84 SLC9A1 (0.61) ALDH1A1HPGDSLC9A1S1PR2S1PR4
SCHEMBL4943003 0.84 ALDH1A1 (0.76) ALDH1A1HPGDSLC9A1S1PR4MAPT
SCHEMBL4943658 0.83 SLC9A1 (0.67) ALDH1A1HPGDSLC9A1S1PR4MAPT
SCHEMBL4943636 0.83 SLC9A1 (0.67) ALDH1A1HPGDSLC9A1S1PR2S1PR4
SCHEMBL4537674 0.81 ALDH1A1 (0.65) ALDH1A1HPGDSLC9A1S1PR2S1PR4
SCHEMBL4537678 0.80 SLC9A1 (1.00) ALDH1A1HPGDSLC9A1
SCHEMBL4937754 0.79 ALDH1A1 (0.74) ALDH1A1HPGDSLC9A1MAPTKMT2A

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 ALDH1A1 297/4885HPGD 242/4885SLC9A1 1/4885

“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.