SCHEMBL2905166

SCHEMBL2905166

Cc1c(C)c2c(c(C)c1OCc1cccnc1)C(c1ccc(C(C)C)cc1)C(C)(C)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.32
OGA O60502 1/20 0.32
NAMPT P43490 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
ACACB O00763 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.32
HTR6 P50406 1/20 0.32
PRKDC P78527 1/20 0.31
MAPK1 P28482 1/20 0.31
NMT1 P30419 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL9666388 0.89 PTAFR (0.35) HSD17B10HTR6MAPK1NMT1NPSR1
SCHEMBL2910763 0.88 CYP27B1 (0.33)
SCHEMBL2912112 0.88 GLRA1 (0.32) ALDH1A1HTTLMNAHPGDMAPK1
SCHEMBL2905194 0.83 TBXAS1 (0.33) NAMPTSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL2911973 0.83 NPC1 (0.35) SMN1; SMN2ALDH1A1ACACBNPC1
SCHEMBL2910781 0.82 RXRA (0.34) ACHESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2910518 0.81 ALOX5 (0.36)
SCHEMBL2908212 0.81 ACHE (0.32) ACHEALDH1A1RAB9A
SCHEMBL2910228 0.80
SCHEMBL2910922 0.80 TDP2 (0.34) SMN1; SMN2ALDH1A1HTTLMNANPC1

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 ACHE 3005/4885HSD17B10 1001/4885OGA 1774/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 ACHE 3005/4885HSD17B10 1001/4885OGA 1774/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO ACHE 2129/4885HSD17B10 1512/4885OGA 835/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 ACHE 3611/4885HSD17B10 895/4885OGA 998/4885

“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.