SCHEMBL5344820

SCHEMBL5344820

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(COc3ccc(C)cc3)C(C)(C)O4)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.39
MAPT P10636 6/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.36
HTR7 P34969 2/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36
RAB9A P51151 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
SCHEMBL5461634 0.93 MAPK1 (0.43) MAPTLMNAALDH1A1GAAKMT2A
SCHEMBL2472817 0.86 ALDH1A1 (0.43) GFERMAPTLMNAALDH1A1GAA
SCHEMBL5346482 0.83 PTGS1 (0.41) MAPTTP53LMNAALDH1A1GAA
SCHEMBL5345362 0.83 DRD2 (0.39) GFERMAPTLMNAALDH1A1GAA
SCHEMBL2472828 0.83 GFER (0.39) GFERMAPTTP53LMNAALDH1A1
SCHEMBL5344114 0.82 DRD2 (0.38) GFERMAPTLMNAALDH1A1GAA
SCHEMBL656741 0.81 KMT2A (0.39) GFERMAPTLMNAALDH1A1GAA
SCHEMBL5347428 0.81 GFER (0.42) GFERMAPTTP53LMNAALDH1A1
SCHEMBL5340127 0.81 MAPT (0.41) MAPTLMNAALDH1A1GAAKMT2A
SCHEMBL2469747 0.80 SLC18A3 (0.42) MAPTLMNAALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US claimed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 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 (2 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 GFER 565/4885MAPT 494/4885TP53 1727/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 GFER 649/4885MAPT 1925/4885TP53 3478/4885

“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.