SCHEMBL660153

SCHEMBL660153

C=C1c2c(C)c(N3CCN(c4ccc(OC)cc4)CC3)c(C)c(C)c2OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTT P42858 1/20 0.39
DRD2 P14416 1/20 0.39
NPC1 O15118 2/20 0.38
AKR1C3 P42330 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL658666 0.86 ALDH1A1 (0.44) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL659546 0.83 ALDH1A1 (0.42) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL2470172 0.81 THRB (0.36) MAPTRAB9AKMT2AALDH1A1GAA
Hydrochloric Acid SCHEMBL2472299 0.81 THRB (0.36) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL657136 0.80 ALDH1A1 (0.41) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL659178 0.78 GAA (0.42) MAPTKMT2AALDH1A1GAAHTT
SCHEMBL5466228 0.78 MAPT (0.39) MAPTKMT2AALDH1A1GAAL3MBTL1
SCHEMBL5466231 0.78 MAPT (0.39) MAPTKMT2AALDH1A1GAAL3MBTL1
SCHEMBL659000 0.78 ALDH1A1 (0.46) MAPTKMT2AALDH1A1GAAHTT
SCHEMBL660946 0.77 GAA (0.42) MAPTRAB9AKMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120232095-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120232096-A1 BENZOFURAN DERIVATIVES TSUKAMOTO TETSUYA (JP) 2012-09-13 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
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-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO 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 (6 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-20120232096-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAPT 3969/4885RAB9A 4271/4885KMT2A 593/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 MAPT 3969/4885RAB9A 4271/4885KMT2A 593/4885
US-20120232095-A1 BENZOFURAN DERIVATIVES AHR, BRPF3, CBR3 MAPT 3969/4885RAB9A 4271/4885KMT2A 593/4885
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 MAPT 494/4885RAB9A 1388/4885KMT2A 2363/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 MAPT 1925/4885RAB9A 982/4885KMT2A 3497/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 MAPT 4353/4885RAB9A 4177/4885KMT2A 635/4885

“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.