SCHEMBL4163540

SCHEMBL4163540

NC(=O)c1ccc(-c2ccccc2)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
HPGD P15428 2/20 0.68
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
PRNP P04156 1/20 0.68
HSD17B10 Q99714 1/20 0.68
SLC9A1 P19634 1/20 0.67
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
NQO2 P16083 2/20 0.51
PDE4B Q07343 2/20 0.51
S1PR4 O95977 1/20 0.51
ALOX5 P09917 2/20 0.50
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL9484980 0.83 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL307282 0.83 ALDH1A1 (0.92) ALDH1A1HPGDKDM4EHSD17B10SLC9A1
SCHEMBL2031645 0.82 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ELMNAPRNP
SCHEMBL15218337 0.81 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ELMNAPRNP
SCHEMBL7128554 0.81 ALDH1A1 (0.64) ALDH1A1HPGDKDM4ELMNAPRNP
SCHEMBL12885825 0.81 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ELMNAPRNP
SCHEMBL7118702 0.81 ALDH1A1 (0.69) ALDH1A1HPGDKDM4ELMNAPRNP
SCHEMBL4943707 0.80 SLC9A1 (1.00) SLC9A1
SCHEMBL28747774 0.80 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ELMNAPRNP
SCHEMBL15314439 0.80 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ELMNASLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014206344-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 WO disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP disclosed
US-5214042-A Use of 5-phenyl-2-furan esters, amides and ketones as neuroprotective agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1993-05-25 US disclosed
US-5118708-A USE OF 5-PHENYL-2-FURAN ESTERS, AMIDES AND KETONES AS NEUROPROTECTIVE AGENTS NORWICH EATON PHARMACEUTICALS, INC. (US) 1992-06-02 US disclosed
US-5023272-A Use of 5-phenyl-2-furan esters and amides as antiepileptic agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1991-06-11 US disclosed
EP-0404231-A1 The use of 5-phenyl-2 furan esters and amides as antiepileptic agents Norwich Eaton Pharmaceuticals, Inc. (US) 1990-12-27 EP disclosed
EP-0404233-A2 Novel use of 5-phenyl-2-furan esters, amides and ketones as neuroprotective agents Norwich Eaton Pharmaceuticals, Inc. (US) 1990-12-27 EP 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 (2 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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD ALDH1A1 1926/4885HPGD 1490/4885KDM4E 3022/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 ALDH1A1 1459/4885HPGD 2725/4885KDM4E 3245/4885

“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.