SCHEMBL3624437

SCHEMBL3624437

[O]COc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.63
KDM4E B2RXH2 2/20 0.61
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
PTPN7 P35236 1/20 0.60
ALOX5 P09917 1/20 0.59
PPARG P37231 3/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
NCOA2 Q15596 2/20 0.53
NCOA1 Q15788 2/20 0.53
NCOA3 Q9Y6Q9 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52

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
SCHEMBL574236 0.83 KDM4E (0.68) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL5899498 0.82 AGXT (0.63) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL16902851 0.81 TDP1 (0.87) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL16902860 0.81 AGXT (0.68) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL3266342 0.81 KDM4E (0.66) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL1859481 0.79 TDP1 (0.76) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL8565990 0.79 TDP1 (0.76) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL29429997 0.79 TDP1 (0.76) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL6926963 0.78 TDP1 (0.68) AGXTKDM4EMAPK1TDP1PTPN7
SCHEMBL6673803 0.77 AGXT (0.63) AGXTKDM4EMAPK1TDP1PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829585-B2 Antifungal agent containing pyridine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-09 US disclosed
US-20090062348-A1 Antifungal Agent Containing Pyridine Derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-03-05 US disclosed
EP-1864980-A1 ANTIFUNGAL AGENT CONTAINING PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-12-12 EP disclosed
WO-1997020821-A1 HETEROARYL DERIVATIVES NOVARTIS AG (CH) 1997-06-12 WO 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-20090062348-A1 Antifungal Agent Containing Pyridine Derivative ERG28, SQOR, CYP51A1 AGXT 259/4885KDM4E 2090/4885MAPK1 809/4885

“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.