SCHEMBL1680717

SCHEMBL1680717

Nc1ncccc1C(=O)NCc1ccc(OCc2ccccc2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.55
LMNA P02545 3/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 1/20 0.51
MAPK8 P45983 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 1/20 0.48
MAPK14 Q16539 1/20 0.48
NSD2 O96028 1/20 0.46
PRKCI P41743 1/20 0.45
RAF1 P04049 1/20 0.45
MAP2K1 Q02750 1/20 0.45
ATM Q13315 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL1681283 0.85 LMNA (0.50) SGMS2LMNAMAPTL3MBTL1KMT2A
SCHEMBL919787 0.84 MAPK8 (0.56) SGMS2MAPTKMT2AMAPK8ALDH1A1
SCHEMBL922540 0.83 MAPK8 (0.58) SGMS2LMNAMAPTL3MBTL1KMT2A
SCHEMBL12352260 0.82 SGMS2 (0.60) SGMS2LMNAMAPTL3MBTL1KMT2A
SCHEMBL922058 0.82 MAPK8 (0.59) SGMS2LMNAMAPTL3MBTL1KMT2A
SCHEMBL922884 0.81 MAPK8 (0.56) SGMS2MAPTKMT2AMAPK8ALDH1A1
SCHEMBL922492 0.81 NSD2 (0.66) LMNAL3MBTL1KMT2AMAPK8HPGD
SCHEMBL12352270 0.81 LMNA (0.61) SGMS2LMNAMAPTL3MBTL1KMT2A
SCHEMBL921415 0.81 ROCK2 (0.53) KMT2AMAPK8ALDH1A1HPGDMAPK1
SCHEMBL1680406 0.80 MAPK8 (0.63) MAPTKMT2AMAPK8ALDH1A1HPGD

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 SGMS2 4223/4885LMNA 2372/4885MAPT 4076/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD SGMS2 1684/4885LMNA 698/4885MAPT 4227/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 SGMS2 4131/4885LMNA 2208/4885MAPT 4111/4885

“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.