Sugi Predict

Sugi Predict / Compounds / SCHEMBL1680425

SCHEMBL1680425

SCHEMBL1680425

Nc1nc(Cl)ccc1C(=O)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ SGMS2 Q8NHU3 1/20 0.51
▸ MAOB P27338 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ KLK1 P06870 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ MAPKAPK2 P49137 1/20 0.47

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
SCHEMBL1680958 0.91 SGMS2 (0.53) KLKB1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL1681172 0.87 LMNA (0.55) KLKB1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL920309 0.87 HPGD (0.55) KLKB1SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL922719 0.87 KLKB1 (0.57) KLKB1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL13070867 0.86 ADORA2A (0.53) NPC1ALDH1A1LMNAMEN1KMT2A
SCHEMBL921488 0.84 MEN1 (0.51) KLKB1SMN1; SMN2SGMS2MAOBLMNA
SCHEMBL1680539 0.84 KDM4E (0.50) KLKB1SMN1; SMN2POLBSGMS2MAOB
SCHEMBL921244 0.83 LMNA (0.59) KLKB1SMN1; SMN2ALDH1A1SGMS2MAOB
SCHEMBL1681016 0.83 MAOB (0.49) KLKB1SMN1; SMN2NPC1RAB9AHTT
SCHEMBL1681236 0.83 GID4 (0.56) KLKB1SMN1; SMN2NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975910-B2 Hetero-fused cyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-22 — — US disclosed
US-9975910-B2 Hetero-fused cyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-22 — — US disclosed
US-9975910-B2 Hetero-fused cyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-22 — — US disclosed
US-20160168176-A1 HETERO-FUSED CYCLIC COMPOUND Eisai R&D Management Co., Lt.d (JP) 2016-06-16 — — US disclosed
US-20160168176-A1 HETERO-FUSED CYCLIC COMPOUND Eisai R&D Management Co., Lt.d (JP) 2016-06-16 — — US disclosed
US-20160168176-A1 HETERO-FUSED CYCLIC COMPOUND Eisai R&D Management Co., Lt.d (JP) 2016-06-16 — — US disclosed
EP-3026054-A1 HETERO-CONDENSED RING COMPOUND Eisai R&D Management Co., Ltd. (JP) 2016-06-01 — — EP disclosed
WO-2015012210-A1 HETERO-CONDENSED RING COMPOUND エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2015-01-29 — — WO 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-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 (4 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 KLKB1 3404/4885SMN1; SMN2 4831/4885NPC1 170/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD KLKB1 4258/4885SMN1; SMN2 4683/4885NPC1 459/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 KLKB1 3648/4885SMN1; SMN2 4814/4885NPC1 154/4885
US-20160168176-A1 HETERO-FUSED CYCLIC COMPOUND NR3C2, NR1H4, NR1I3 KLKB1 4092/4885SMN1; SMN2 3273/4885NPC1 390/4885

“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.