SCHEMBL1733690

SCHEMBL1733690

OCc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.60
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 1/20 0.59
CYSLTR1 Q9Y271 1/20 0.59
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
MAOB P27338 1/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SYK P43405 4/20 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
SCHEMBL3005551 0.85 MAOB (0.47) PARP10ALDH1A1SMN1; SMN2KDM4ECYSLTR1
SCHEMBL22874534 0.84 PARP10 (0.66) PARP10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL29278412 0.83 HPGD (0.49) PARP10ALDH1A1SMN1; SMN2KDM4ECYSLTR1
SCHEMBL5807622 0.83 ALDH1A1 (0.60) PARP10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL23642765 0.83 LTA4H (0.59) PARP10ALDH1A1SMN1; SMN2KDM4ECYSLTR1
SCHEMBL30461991 0.83 ALDH1A1 (0.59) PARP10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL12310925 0.83 ALDH1A1 (0.59) PARP10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL511292 0.83 ALDH1A1 (0.59) PARP10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL1680759 0.83 PARP10 (0.60) PARP10ALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL9384981 0.82 GPBAR1 (0.62) PARP10ALDH1A1SMN1; SMN2KDM4ECYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 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 (1 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-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 PARP10 2031/4885ALDH1A1 2165/4885SMN1; SMN2 4143/4885

“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.