SCHEMBL9480468

SCHEMBL9480468

[c]1cccc2c1ccc1ncccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
CYP3A4 P08684 1/20 0.50
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
BLM P54132 1/20 0.44
HIF1A Q16665 1/20 0.44
NCOA1 Q15788 2/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
ERN1 O75460 1/20 0.39
NR4A2 P43354 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL17511929 0.79 MAPT (0.40) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL2411016 0.78 CYP1A2 (0.32) CYP1A2
SCHEMBL217044 0.78 MAPT (1.00) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL17511875 0.78 GPR3 (0.35) MAPTKDM4E
SCHEMBL24065 0.78 LMNA (0.55) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL23980 0.77 MAPT (0.55) MAPTKDM4ECYP3A4LMNAMEN1
Hydrochloric Acid SCHEMBL28420480 0.76 MAPT (0.94) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL17511951 0.76 MAPT (0.59) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL18594 0.75 ALDH1A1 (0.44) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL2517518 0.74 MAPT (0.52) MAPTKDM4ECYP3A4LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 US disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 MAPT 4371/4885KDM4E 995/4885CYP3A4 1069/4885

“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.