SCHEMBL2907388

SCHEMBL2907388

Cc1c(C)c2c(c(C)c1OCc1ccccc1)C(c1ccc(N(C)C)cc1)C(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NOX1 Q9Y5S8 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
KCNE1 P15382 3/20 0.33
KCNQ1 P51787 3/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APP P05067 5/20 0.32
POLB P06746 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
TP53 P04637 1/20 0.30
PTP4A3 O75365 1/20 0.30
PTPN1 P18031 1/20 0.30

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
SCHEMBL2908368 0.89 APP (0.37) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL2912112 0.85 GLRA1 (0.32) ALDH1A1TDP1MAPTHPGDLMNA
SCHEMBL8868048 0.77 IDO1 (0.38) ALDH1A1TDP1MAPTHPGDKCNE1
SCHEMBL9666388 0.76 PTAFR (0.35) MAPK1
SCHEMBL4038662 0.75 TSHR (0.35) ALDH1A1TDP1KDM4EMAPTGAA
SCHEMBL8867575 0.75 KCNE1 (0.38) ALDH1A1TDP1MAPTHPGDKCNE1
SCHEMBL979035 0.75 KCNE1 (0.38) ALDH1A1TDP1MAPTHPGDKCNE1
SCHEMBL8868743 0.75 KCNE1 (0.38) ALDH1A1TDP1MAPTHPGDKCNE1
SCHEMBL2910763 0.75 CYP27B1 (0.33)
SCHEMBL2908212 0.75 ACHE (0.32) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP disclosed
US-7750037-B2 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-06 US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 US disclosed
US-7008950-B1 Benzofurans as suppressors of neurodegeneration TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-07 US disclosed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 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 (4 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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 ALDH1A1 3081/4885TDP1 3494/4885KDM4E 2631/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 ALDH1A1 3081/4885TDP1 3494/4885KDM4E 2631/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO ALDH1A1 359/4885TDP1 4177/4885KDM4E 1645/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ALDH1A1 311/4885TDP1 3174/4885KDM4E 554/4885

“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.