SCHEMBL1680942

SCHEMBL1680942

CCOCNc1ccc(C(=O)NCc2ccc(Oc3ccccc3)s2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.41
GABRA5 P31644 3/20 0.41
SLC8A1 P32418 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MMP13 P45452 2/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCAR3 P49019 1/20 0.37
MAPT P10636 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1681020 0.91 POLB (0.39) GABRA5SLC8A1RAB9AMMP13LMNA
SCHEMBL1680527 0.91 ALDH1A1 (0.42) MAPK14GABRA5RAB9AMMP13CYP3A4
SCHEMBL12737244 0.89 GABRA5 (0.43) GABRA5SLC8A1MMP13LMNAMAPT
SCHEMBL1681139 0.86 MAPK14 (0.46) MAPK14RAB9AOPRM1OPRD1OPRK1
SCHEMBL1680902 0.86 SLC8A1 (0.49) MAPK14SLC8A1MMP13LMNACYP3A4
SCHEMBL1680509 0.80 EPHX2 (0.49) MAPK14GABRA5OPRM1OPRD1OPRK1
SCHEMBL1680298 0.79 MAPK8 (0.45) LMNACYP3A4HTTMAPTHPGD
SCHEMBL1681067 0.79 MAPK14 (0.47) MAPK14GABRA5OPRM1OPRD1OPRK1
SCHEMBL1680996 0.78 POLB (0.42) SLC8A1MMP13LMNAHTTSMN1; SMN2
SCHEMBL1680831 0.77 MAPK14 (0.44) MAPK14GABRA5MMP13CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US 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
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 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

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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 MAPK14 2815/4885GABRA5 2834/4885SLC8A1 3236/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAPK14 2841/4885GABRA5 4658/4885SLC8A1 1123/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAPK14 3031/4885GABRA5 3289/4885SLC8A1 3100/4885

“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.