SCHEMBL1680904

SCHEMBL1680904

O=C(NCc1ccc(Oc2cccc(Cl)c2)s1)c1ccc2ncccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
PLK1 P53350 1/20 0.44
LOX P28300 2/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
DOT1L Q8TEK3 1/20 0.43
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
CCR3 P51677 3/20 0.41
SCD O00767 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40

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
SCHEMBL1680951 0.91 PLK1 (0.46) RAB9AKDM4EALDH1A1LMNAMAPT
SCHEMBL1681122 0.90 PLK1 (0.45) RAB9AKDM4EALDH1A1LMNAMAPT
SCHEMBL1681352 0.89 MAPK14 (0.49) RAB9AALDH1A1MAPTPLK1LOX
SCHEMBL1680780 0.89 NPC1 (0.48) RAB9ALMNAPLK1LOXLOXL2
SCHEMBL1680976 0.89 EGLN1 (0.47) MAPK1PLK1LOXLOXL2HTT
SCHEMBL1680909 0.86 LOX (0.44) PLK1LOXLOXL2HTTALOX15
SCHEMBL1680985 0.86 SPHK2 (0.46) RAB9AKDM4EALDH1A1LMNAMAPT
SCHEMBL12352601 0.85 MAPT (0.45) RAB9AKDM4EALDH1A1LMNAMAPT
SCHEMBL1681194 0.85 EGLN1 (0.48) RAB9AMAPTMAPK1PLK1NPC1
SCHEMBL1681184 0.83 PKM (0.55) RAB9AKDM4EALDH1A1LMNAMAPT

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 8 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-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

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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 RAB9A 1844/4885KDM4E 3112/4885ALDH1A1 1677/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 RAB9A 1739/4885KDM4E 3245/4885ALDH1A1 1459/4885

“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.