SCHEMBL2911973

SCHEMBL2911973

Cc1c(C)c2c(c(C)c1OCc1ccccn1)C(c1ccc(C(C)C)cc1)C(C)(C)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
SYK P43405 5/20 0.33
AURKB Q96GD4 3/20 0.33
INCENP Q9NQS7 3/20 0.33
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.30
ACACB O00763 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
SCHEMBL2912112 0.86 GLRA1 (0.32) ALDH1A1MAOB
SCHEMBL2914379 0.85 CYSLTR1 (0.37)
SCHEMBL2910763 0.84 CYP27B1 (0.33)
SCHEMBL2909214 0.80 SCN8A (0.30)
SCHEMBL2908212 0.80 ACHE (0.32) ALDH1A1
SCHEMBL2910781 0.79 RXRA (0.34) NPC1ALDH1A1SMN1; SMN2MAOB
SCHEMBL2910922 0.79 TDP2 (0.34) NPC1ALDH1A1SMN1; SMN2
SCHEMBL4038640 0.79 NFE2L2 (0.31)
SCHEMBL2910518 0.78 ALOX5 (0.36)
SCHEMBL2913727 0.78 CACNA1B (0.31)

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 NPC1 2368/4885SYK 688/4885AURKB 856/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 NPC1 2368/4885SYK 688/4885AURKB 856/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO NPC1 2467/4885SYK 4583/4885AURKB 1200/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 NPC1 2378/4885SYK 4851/4885AURKB 1797/4885

“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.