SCHEMBL2905508

SCHEMBL2905508

COc1ccc(C(=O)Nc2c(C)c(C)c3c(c2C)C(c2ccc(F)cc2)C(C)(C)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRK1 P41145 1/20 0.44
RECQL P46063 1/20 0.44
CCR6 P51684 1/20 0.44
ADCY1 Q08828 1/20 0.44
TP53 P04637 4/20 0.43
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 5/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2947678 0.93 KDM4E (0.39) LMNAKDM4EADCY1TP53MAPT
SCHEMBL2913757 0.92 RAB9A (0.47) LMNAKDM4ERECQLTP53MAPT
SCHEMBL2911639 0.90 ADCY1 (0.42) KDM4EADCY1MAPTRAB9ANPC1
SCHEMBL2913347 0.89 RAB9A (0.42) KDM4ERECQLTP53MAPTRAB9A
SCHEMBL2911504 0.88 KDM4E (0.42) KDM4EADCY1TP53MAPTRXFP1
SCHEMBL2905197 0.86 KDM4E (0.35) LMNAKDM4EADCY1TP53MAPT
SCHEMBL2913560 0.80 GAA (0.38) LMNAMAPTRAB9ANPC1GAA
SCHEMBL2909184 0.80 RAB9A (0.41) LMNAKDM4ETP53MAPTRAB9A
SCHEMBL2912943 0.80 PKM (0.49) LMNAKDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL3590239 0.79 KCNQ2 (0.35) LMNAKDM4ESMN1; SMN2GAAMEN1

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 16 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-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 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
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 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
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 LMNA 1435/4885KDM4E 2631/4885OPRK1 126/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 LMNA 1435/4885KDM4E 2631/4885OPRK1 126/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO LMNA 1938/4885KDM4E 1645/4885OPRK1 1168/4885
US-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 LMNA 1075/4885KDM4E 2442/4885OPRK1 595/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 LMNA 1890/4885KDM4E 554/4885OPRK1 724/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 LMNA 972/4885KDM4E 2275/4885OPRK1 644/4885

“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.