SCHEMBL922540

SCHEMBL922540

Nc1ncccc1C(=O)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.58
SGMS2 Q8NHU3 1/20 0.57
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NSD2 O96028 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HDAC1 Q13547 1/20 0.53
KLKB1 P03952 1/20 0.53
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 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
SCHEMBL922058 0.96 MAPK8 (0.59) MAPK8SGMS2LMNAMAPTL3MBTL1
SCHEMBL922511 0.91 HPGD (0.60) MAPK8LMNAMAPTHDAC1KLKB1
SCHEMBL1681107 0.91 KMT2A (0.59) MAPK8SGMS2LMNAMAPTL3MBTL1
SCHEMBL921980 0.91 HPGD (0.64) LMNAMAPTMEN1KMT2AHDAC1
SCHEMBL12352271 0.91 KMT2A (0.59) MAPK8SGMS2LMNAMAPTL3MBTL1
SCHEMBL922492 0.89 NSD2 (0.66) MAPK8LMNAL3MBTL1NSD2KMT2A
SCHEMBL919787 0.88 MAPK8 (0.56) MAPK8SGMS2MAPTNSD2MEN1
SCHEMBL922884 0.88 MAPK8 (0.56) MAPK8SGMS2MAPTNSD2MEN1
SCHEMBL923257 0.88 MAPK8 (0.56) MAPK8LMNAMAPTNSD2MEN1
SCHEMBL920461 0.88 MAPK8 (0.67) MAPK8LMNAMAPTL3MBTL1NSD2

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 13 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-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
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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 MAPK8 2211/4885SGMS2 4223/4885LMNA 2372/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD MAPK8 2935/4885SGMS2 1684/4885LMNA 698/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 MAPK8 2313/4885SGMS2 3358/4885LMNA 4812/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAPK8 2317/4885SGMS2 4131/4885LMNA 2208/4885

“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.