SCHEMBL1680889

SCHEMBL1680889

O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(Cl)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ FFAR1 O14842 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ MAPK14 Q16539 6/20 0.58
▸ HPGD P15428 1/20 0.56
▸ ROCK2 O75116 1/20 0.55
▸ KCNQ3 O43525 1/20 0.54
▸ KCNQ2 O43526 1/20 0.54
▸ KCNE1 P15382 1/20 0.54
▸ KCNQ1 P51787 1/20 0.54
▸ MMP13 P45452 2/20 0.54
▸ MAOA P21397 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HPGDS O60760 2/20 0.51
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51

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
SCHEMBL3402865 0.87 MMP13 (0.67) L3MBTL1SMN1; SMN2HPGDROCK2KCNQ3
SCHEMBL1680768 0.86 FFAR1 (0.60) L3MBTL1FFAR1SMN1; SMN2MAPK14HPGD
SCHEMBL4067449 0.85 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL16343160 0.84 L3MBTL1 (0.78) L3MBTL1SMN1; SMN2NPC1RAB9AROCK2
SCHEMBL27841827 0.83 L3MBTL1 (0.76) L3MBTL1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL1331793 0.80 NPC1 (0.79) L3MBTL1SMN1; SMN2NPC1RAB9AKCNQ3
SCHEMBL1681281 0.79 FFAR1 (0.60) FFAR1SMN1; SMN2MAPK14HPGDROCK2
SCHEMBL5697540 0.78 PSMD14 (0.54) FFAR1SMN1; SMN2MAPK14HPGDROCK2
SCHEMBL31023556 0.78 L3MBTL1 (0.84) L3MBTL1SMN1; SMN2NPC1RAB9AROCK2
SCHEMBL1680708 0.77 ROCK2 (0.63) FFAR1SMN1; SMN2MAPK14HPGDROCK2

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 L3MBTL1 2320/4885FFAR1 3313/4885SMN1; SMN2 4831/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD L3MBTL1 1720/4885FFAR1 3270/4885SMN1; SMN2 4683/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 L3MBTL1 2126/4885FFAR1 3308/4885SMN1; SMN2 4814/4885

“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.

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