SCHEMBL2472828

SCHEMBL2472828

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(c3ccc(C)cc3)C(C)(C)O4)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 5/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR1 P32246 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTR7 P34969 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL2473689 0.97 ALDH1A1 (0.38) LMNAMAPTALDH1A1GAASMN1; SMN2
SCHEMBL5340946 0.96 GFER (0.39) GFERLMNAMAPTTP53ALDH1A1
SCHEMBL2470988 0.92 DHFR (0.35) MAPTALDH1A1MAPK1HTR7MEN1
SCHEMBL2472850 0.92 L3MBTL1 (0.39) LMNAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL2471507 0.92 MAPT (0.40) LMNAMAPTTP53ALDH1A1GAA
SCHEMBL2470586 0.92 PTGS1 (0.43) LMNAMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL2472440 0.90 HTR1A (0.40) LMNAMAPTTP53ALDH1A1GAA
SCHEMBL5342290 0.90 GFER (0.36) GFERLMNAMAPTTP53ALDH1A1
SCHEMBL2474086 0.89 HTR1A (0.38) LMNAMAPTTP53ALDH1A1GAA
SCHEMBL2473354 0.89 KCNH2 (0.35) LMNAMAPTALDH1A1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP claimed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US claimed
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-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 claimed
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 claimed
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP 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-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-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 565/4885LMNA 4051/4885MAPT 494/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 GFER 649/4885LMNA 3240/4885MAPT 1925/4885

“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.