SCHEMBL1680774

SCHEMBL1680774

Nc1ncc(Cl)cc1C(=O)NCc1ccc(Oc2ccccc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
MAPK8 P45983 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
KLKB1 P03952 1/20 0.39
KMT2A Q03164 2/20 0.38
PDPK1 O15530 1/20 0.38
MAPK14 Q16539 1/20 0.37
MET P08581 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL1680398 0.90 MAPK8 (0.40) ALDH1A1L3MBTL1HPGDGAAHTT
SCHEMBL1680258 0.88 MAPK8 (0.39) ALDH1A1L3MBTL1HPGDGAAHTT
SCHEMBL1680833 0.88 PTGER4 (0.42) PTGER4ALDH1A1L3MBTL1HPGDMAPK8
SCHEMBL920728 0.88 PTGER4 (0.44) PTGER4PTGER2MAPK8MAPK14MET
SCHEMBL1680879 0.86 MAPK8 (0.42) PTGER4PTGER2ALDH1A1L3MBTL1HPGD
SCHEMBL1680626 0.84 FFAR1 (0.42) ALDH1A1HPGDHTTMAPK8TDP1
SCHEMBL1681128 0.83 PIK3CD (0.44) ALDH1A1L3MBTL1HPGDGAAHTT
SCHEMBL1680415 0.83 MAPK8 (0.52) ALDH1A1MAPK8PDPK1MAPK14
SCHEMBL920809 0.82 PTGER4 (0.58) PTGER4PTGER2ALDH1A1L3MBTL1HPGD
SCHEMBL1680407 0.81 MAPK8 (0.40) ALDH1A1L3MBTL1HPGDGAAHTT

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 PTGER4 3751/4885PTGER2 4115/4885ALDH1A1 1677/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD PTGER4 3347/4885PTGER2 3496/4885ALDH1A1 1926/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PTGER4 3836/4885PTGER2 4154/4885ALDH1A1 1459/4885

“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.