SCHEMBL1680656

SCHEMBL1680656

[O-][n+]1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.60
TSHR P16473 1/20 0.60
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
MAOA P21397 1/20 0.46
PABPC1 P11940 1/20 0.46
EIF4H Q15056 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
SOS1 Q07889 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7263349 0.79 LTA4H (0.52) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL17979335 0.79 KCNA3 (0.56) LTA4HALDH1A1MAPTPARP10
Diphenylether SCHEMBL9061108 0.78 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL4950525 0.78 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL12286 0.78 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL2461810 0.78 LTA4H (1.00) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL7231850 0.74 PARP10 (0.58) TSHRCTDSP1ALDH1A1CA1CA2
Diphenylether SCHEMBL11777679 0.74 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL18096784 0.74 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA
Diphenylether SCHEMBL4265157 0.74 LTA4H (0.92) LTA4HTSHRNR1H2BAXMAOA

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 6 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-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
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 LTA4H 1046/4885TSHR 3875/4885NR1H2 3379/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD LTA4H 1912/4885TSHR 3836/4885NR1H2 1306/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 LTA4H 1115/4885TSHR 3952/4885NR1H2 3570/4885

“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.