SCHEMBL1680760

SCHEMBL1680760

O=C(NCc1ccc(OCc2ccccn2)cc1)c1ccc2ncccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 1/20 0.52
PARP10 Q53GL7 1/20 0.51
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
NAMPT P43490 1/20 0.50
POLB P06746 1/20 0.50
MDM2 Q00987 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BCAT1 P54687 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL1680422 0.89 HDAC1 (0.60) CYSLTR1MEN1KMT2ANR1H4POLB
SCHEMBL13491447 0.88 LMNA (0.61) MEN1KMT2ANR1H4POLBSMN1; SMN2
SCHEMBL13491363 0.86 LMNA (0.55) MEN1KMT2AMAPK14NR1H4SMN1; SMN2
SCHEMBL13491560 0.85 NPC1 (0.57) MEN1KMT2ASMN1; SMN2EGLN1HDAC1
SCHEMBL13491441 0.85 EGLN1 (0.57) MEN1KMT2AMAPK14SMN1; SMN2EGLN1
SCHEMBL13491432 0.85 EGLN1 (0.52) PARP10NR1H4BCAT1EGLN1HDAC1
SCHEMBL1681381 0.85 MAPK14 (0.61) HPGDMAPK14NR1H4NAMPTSMN1; SMN2
SCHEMBL13491456 0.85 LMNA (0.61) HPGDNR1H4SMN1; SMN2EGLN1HDAC1
SCHEMBL13491664 0.84 EGLN1 (0.65) NR1H4POLBSMN1; SMN2BCAT1EGLN1
SCHEMBL13491419 0.84 EGLN1 (0.53) NR1H4POLBSMN1; SMN2BCAT1EGLN1

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 CYSLTR1 2006/4885PARP10 3249/4885HPGD 2538/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD CYSLTR1 2525/4885PARP10 796/4885HPGD 1490/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 CYSLTR1 2011/4885PARP10 3140/4885HPGD 2725/4885

“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.