SCHEMBL4537674

SCHEMBL4537674

COc1ccc(Cl)cc1-c1ccc(C(=O)NC(=N)N)o1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
SLC9A1 P19634 11/20 0.64
S1PR4 O95977 7/20 0.55
S1PR2 O95136 5/20 0.55
S1PR3 Q99500 3/20 0.55
S1PR5 Q9H228 3/20 0.51
S1PR1 P21453 2/20 0.51
MAPT P10636 1/20 0.47

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
SCHEMBL4943376 0.89 SLC9A1 (0.67) ALDH1A1HPGDSLC9A1S1PR4S1PR2
SCHEMBL4943681 0.89 SLC9A1 (0.67) ALDH1A1HPGDSLC9A1S1PR4S1PR2
SCHEMBL4943634 0.87 ALDH1A1 (0.64) ALDH1A1HPGDSLC9A1S1PR4S1PR5
SCHEMBL4940226 0.86 SLC9A1 (0.64) ALDH1A1HPGDSLC9A1S1PR4S1PR2
SCHEMBL4941055 0.86 SLC9A1 (0.64) ALDH1A1HPGDSLC9A1S1PR4S1PR2
SCHEMBL4946319 0.85 SLC9A1 (0.61) ALDH1A1SLC9A1S1PR4S1PR2S1PR3
SCHEMBL4946631 0.84 SLC9A1 (0.62) ALDH1A1HPGDSLC9A1S1PR4S1PR2
SCHEMBL4945635 0.81 SLC9A1 (0.56) ALDH1A1HPGDSLC9A1S1PR4S1PR2
SCHEMBL4944323 0.81 ALDH1A1 (0.77) ALDH1A1HPGDSLC9A1S1PR4S1PR2
SCHEMBL4939604 0.79 ALDH1A1 (0.56) ALDH1A1HPGDSLC9A1MAPT

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 9 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 claimed
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-12-27 US claimed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 ALDH1A1 730/4885HPGD 424/4885SLC9A1 2001/4885
US-20070299131-A1 Furancarbonylguanidine Derivatives, Their Preparation and Pharmaceutical Compositions Containing Them SLC9A1, NHERF1, SLC5A1 ALDH1A1 297/4885HPGD 242/4885SLC9A1 1/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 ALDH1A1 730/4885HPGD 424/4885SLC9A1 2001/4885

“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.