SCHEMBL4945600

SCHEMBL4945600

COC(=O)c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
NPC1 O15118 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
HPGD P15428 3/20 0.67
S1PR4 O95977 1/20 0.64
SLC9A1 P19634 1/20 0.60
POLB P06746 2/20 0.58
GFER P55789 1/20 0.58
MAPT P10636 5/20 0.56
PDE4B Q07343 3/20 0.56
RAB9A P51151 4/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SLC6A3 Q01959 2/20 0.55
MGAM O43451 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
MEN1 O00255 1/20 0.54
ALOX12 P18054 1/20 0.54

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
SCHEMBL4942973 0.86 SLC9A1 (0.57) ALDH1A1NPC1SMN1; SMN2HPGDS1PR4
SCHEMBL1219840 0.84 SLC9A1 (0.63) ALDH1A1NPC1SMN1; SMN2HPGDS1PR4
SCHEMBL4943045 0.83 SLC9A1 (0.62) ALDH1A1NPC1SMN1; SMN2HPGDS1PR4
SCHEMBL1317340 0.83 HSD17B1 (0.55) ALDH1A1NPC1SMN1; SMN2HPGDS1PR4
SCHEMBL3061978 0.83 NR4A1 (0.67) ALDH1A1NPC1SMN1; SMN2HPGDS1PR4
SCHEMBL3059961 0.83 SLC9A1 (0.65) ALDH1A1NPC1SMN1; SMN2HPGDS1PR4
SCHEMBL4939182 0.82 SLC9A1 (0.65) ALDH1A1NPC1SMN1; SMN2HPGDSLC9A1
SCHEMBL1143419 0.82 ALDH1A1 (0.53) ALDH1A1NPC1SMN1; SMN2HPGDS1PR4
SCHEMBL4949353 0.82 NR4A1 (0.70) ALDH1A1NPC1SMN1; SMN2HPGDSLC9A1
SCHEMBL27585207 0.81 SLC9A1 (0.72) ALDH1A1NPC1SMN1; SMN2HPGDS1PR4

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 297/4885NPC1 352/4885SMN1; SMN2 1875/4885

“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.